Geometry & MOs

Info

ID:	183352
PubChem CID:	77011691
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	9.06
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-5-(pyridine-2-carbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)NC1=CC(=C(C=C1)C)C=CC(=O)O

DOS

IR

Vibrations