Geometry & MOs

Info

ID:	178259
PubChem CID:	76306263
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	4.44
IP(EA), eV:	-8.5(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-1-[3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(CN2)C(=O)N3CCC(CC3)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations