Geometry & MOs

Info

ID:	174500
PubChem CID:	75774089
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	400.226312
ΔH_f, kcal/mol:	83.33
Dipole, Da:	2.39
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NC=C2)NC(C)C3=CN=CC=C3

DOS

IR

Vibrations