Geometry & MOs

Info

ID:	173394
PubChem CID:	75633404
Reduced:	ClO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	3.12
IP(EA), eV:	-8.88(-0.28)
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-(3-phenylpropyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2C1C(=O)N(C(=O)N2CC(=O)NCCC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

DOS

IR

Vibrations