Geometry & MOs

Info

ID:	173392
PubChem CID:	75633378
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	2.75
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C2=O)C)N(C=C3C4=CC=CC=C4)C

DOS

IR

Vibrations