Geometry & MOs

Info

ID:	173395
PubChem CID:	75633405
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	0.93
IP(EA), eV:	-8.94(-0.36)
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-[(4-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2C1C(=O)N(C(=O)N2CC(=O)NCCCC3=CC=CC=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations