Geometry & MOs

Info

ID:	43313
PubChem CID:	10321108
Reduced:	SN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	441.137468
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	6.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.077101
Charge, e:	0

Chem-info

IUPAC name:

2-(8,9-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC(=CC=C2)NC(=O)C)N

DOS

IR

Vibrations