Geometry & MOs

Info

ID:	349431
PubChem CID:	127275218
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	3.68
IP(EA), eV:	-8.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-phenylazepan-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)N2CCCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations