Geometry & MOs

Info

ID:	156816
PubChem CID:	56394470
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	-33.64
Dipole, Da:	9.05
IP(EA), eV:	-8.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

DOS

IR

Vibrations