Geometry & MOs

Info

ID:	122640
PubChem CID:	50815632
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	459.134969
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C(=O)C1=O)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations