Geometry & MOs

Info

ID:	37035
PubChem CID:	8016304
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	2.24
IP(EA), eV:	-8.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-5-oxo-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCNC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)C4=C(CCN3)C5=CC=CC=C5N4

DOS

IR

Vibrations