Geometry & MOs

Info

ID:	344567
PubChem CID:	127268151
Reduced:	O2N3C20H35 (1)
Stoich.:	A2B3C20D35 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	5.23
IP(EA), eV:	-8.96(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations