Geometry & MOs

Info

ID:	144519
PubChem CID:	53380366
Reduced:	OSN2C24H24 (1)
Stoich.:	ABC2D24E24 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	42.37
Dipole, Da:	2.27
IP(EA), eV:	-8.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)-1-pyridin-4-ylethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2CN(CC3C4=C(SC=C4)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations