Geometry & MOs

Info

ID:	370042
PubChem CID:	127337260
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	394.198046
ΔH_f, kcal/mol:	2.48
Dipole, Da:	4.23
IP(EA), eV:	-8.71(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C)NC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations