Geometry & MOs

Info

ID:	84822
PubChem CID:	49870178
Reduced:	OSN5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	433.155705
ΔH_f, kcal/mol:	66.86
Dipole, Da:	6.1
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NNC2=NC3=C(C(=O)N2)N=CS3

DOS

IR

Vibrations