Geometry & MOs

Info

ID:	175253
PubChem CID:	75873795
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	433.095997
ΔH_f, kcal/mol:	17.56
Dipole, Da:	2.49
IP(EA), eV:	-9.38(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorobenzoyl)-N-[4-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)NC(=O)NCC2=CC(=NC=C2)N3C=CC=N3

DOS

IR

Vibrations