Geometry & MOs

Info

ID:	342095
PubChem CID:	127264808
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	4.03
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC1=CC=CC=C1N2C=CC(=N2)C(=O)O

DOS

IR

Vibrations