Geometry & MOs

Info

ID:	173393
PubChem CID:	75633403
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	1.33
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-4a,7a-dihydropyrrolo[3,2-d]pyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C2C(C(=O)N(C1=O)C)N(C=C2C3=CC=CC=C3)C

DOS

IR

Vibrations