Geometry & MOs

Info

ID:	221027
PubChem CID:	85256151
Reduced:	N2O4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	259.05124
ΔH_f, kcal/mol:	-200.72
Dipole, Da:	5.52
IP(EA), eV:	-10.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-2-methyl-1,4a-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC(=O)CCN1CCC(=O)NC1=O

DOS

IR

Vibrations