Geometry & MOs

Info

ID:	360574
PubChem CID:	127301219
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	16.89
Dipole, Da:	7.74
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C(=O)CN1CCC(CC1)C2=NC3=CC=CC=C3N2)C4(CCCCC4)C#N

DOS

IR

Vibrations