Geometry & MOs

Info

ID:	338408
PubChem CID:	127259100
Reduced:	ClNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	213.019271
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	4.91
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)carbamoyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)C(C1=CC=CC=C1)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations