Geometry & MOs

Info

ID:	152459
PubChem CID:	56311390
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	488.203525
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	2.5
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations