Geometry & MOs

Info

ID:	357899
PubChem CID:	127295399
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	5.97
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Cl)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations