Geometry & MOs

Info

ID:	397195
PubChem CID:	135029869
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	2.12
IP(EA), eV:	-9.43(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-(phenylcarbamoyl)anilino]but-2-enedioate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C=O)OO

DOS

IR

Vibrations