Geometry & MOs

Info

ID:	299419
PubChem CID:	117682882
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	480.192818
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(3-chloro-5-methylphenyl)pyrimidin-4-yl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)N3CCC(CC3)CNC(=O)C4=CC(=CC(=C4)OCC5CC5)OC

DOS

IR

Vibrations