Geometry & MOs

Info

ID:	126465
PubChem CID:	50965798
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	19.52
Dipole, Da:	4.4
IP(EA), eV:	-8.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-ethylimidazol-1-yl)propan-2-ylamino]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NCC3=CC4=C(C=C3)N(C(=O)N4C)C

DOS

IR

Vibrations