Geometry & MOs

Info

ID:	121985
PubChem CID:	50788838
Reduced:	ON3H13C14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	37.1
Dipole, Da:	6.07
IP(EA), eV:	-8.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-(2,4-dimethylphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CNC(=O)C3=CC=C(C=C3)N4C(=C(C(=N4)C)C5=CC=CC=C5)NC(=O)C

DOS

IR

Vibrations