Geometry & MOs

Info

ID:	142697
PubChem CID:	53077873
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	406.156039
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	3.3
IP(EA), eV:	-8.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(COC3=C2C=CC(=C3)C)CC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations