Geometry & MOs

Info

ID:	214218
PubChem CID:	84974670
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	6.08
IP(EA), eV:	-9.51(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations