Geometry & MOs

Info

ID:	195174
PubChem CID:	78650046
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	414.134635
ΔH_f, kcal/mol:	-121.35
Dipole, Da:	9.51
IP(EA), eV:	-9.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N

DOS

IR

Vibrations