Geometry & MOs

Info

ID:

311875

PubChem CID:

126598681

Reduced:

BrNC30H34 (1)

Stoich.:

ABC30D34 (1)

Weight, g/mol:

596.383875

ΔHf, kcal/mol:

18.96

Dipole, Da:

2.51

IP(EA), eV:

 -8.02(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,11'R,19'R)-19'-[(R)-amino-(2,3,4-trimethylphenyl)methyl]-18'-ethyl-6,8'-dimethylspiro[3,4-dihydro-2H-isoquinoline-1,14'-4,6-dioxa-12,16,18-triazatetracyclo[9.6.2.02,10.03,7]nonadeca-2(10),3(7),8-triene]-7-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=C(C=C5C(=C4)C(C(C5(C)C)(C)C)(C)C)Br)C

DOS

IR

Vibrations