Geometry & MOs

Info

ID:	55509
PubChem CID:	17395483
Reduced:	OSN6C18H18 (1)
Stoich.:	ABC6D18E18 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	110.16
Dipole, Da:	7.48
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CSC3=NN=NN3CC4=CC=C(C=C4)OC

DOS

IR

Vibrations