Geometry & MOs

Info

ID:	128792
PubChem CID:	51058171
Reduced:	ClNO3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	4.44
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations