Geometry & MOs

Info

ID:	379015
PubChem CID:	134228885
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	11.98
Dipole, Da:	4.89
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2-methylphenyl)methyl-(1-pyridin-3-ylethenyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC(=N/C(=C(\C)/C(=C)O)/C)C1=CN=CC=C1

DOS

IR

Vibrations