Geometry & MOs

Info

ID:	398965
PubChem CID:	135036641
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	234.076633
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	1.91
IP(EA), eV:	-10.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2-methylphenyl)carbamoyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H]2C[C@H](C=C[C@@H]2C1=O)C(=O)C

DOS

IR

Vibrations