Geometry & MOs

Info

ID:	448343
PubChem CID:	135290261
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	11.65
Dipole, Da:	5.42
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1/C=C/C=O)C2=CC=CC=C2

DOS

IR

Vibrations