Geometry & MOs

Info

ID:	399367
PubChem CID:	135039906
Reduced:	ON2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	233.120449
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818851
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-5H-indolo[2,1-a][2]benzazepine

Drug info:

PubChemData

Smile

C[C@@H]1CCC(C=C1CC/C(=C/[N+]#N)/O)C(C)C

DOS

IR

Vibrations