Geometry & MOs

Info

ID:	123099
PubChem CID:	50833095
Reduced:	ClO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	4.79
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)CCC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations