Geometry & MOs

Info

ID:	314655
PubChem CID:	126622571
Reduced:	CaO4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-261.54
Dipole, Da:	0.09
IP(EA), eV:	-9.43(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-carbamoyl-5-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)[O-].CCC(C1=CC=CC=C1)C(=O)[O-].[Ca+2]

DOS

IR

Vibrations