Geometry & MOs

Info

ID:	370036
PubChem CID:	127337253
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	360.171689
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	4.56
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)ethyl]-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations