Geometry & MOs

Info

ID:

186183

PubChem CID:

77400098

Reduced:

N3O5H25C35 (1)

Stoich.:

A3B5C25D35 (1)

Weight, g/mol:

473.231456

ΔHf, kcal/mol:

13.56

Dipole, Da:

10.75

IP(EA), eV:

 -8.95(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5-ethenyl-10-hydroxy-11,11-dimethyl-12-oxa-3,6-diazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),14,16-heptaen-4-yl)-2-methyl-1-morpholin-4-ylbut-3-en-1-one

Drug info:

PubChemData

Smile

CC1(C2COC3=C(C2C4=C(O1)C5=CC=CC=C5C6=NC7=C(C=CC(=C7)C(=O)C8=CC=CC=C8)N=C46)C=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations