Geometry & MOs

Info

ID:

313123

PubChem CID:

126612083

Reduced:

NOH25C38 (1)

Stoich.:

ABC25D38 (1)

Weight, g/mol:

585.33955

ΔHf, kcal/mol:

132.03

Dipole, Da:

2.43

IP(EA), eV:

 -7.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16,18,20,23-decaen-9-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)C4=CC=CC5=CC=CC=C54)OC6=C2C=C(C=C6)C7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations