Geometry & MOs

Info

ID:	296255
PubChem CID:	117563909
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	3.12
IP(EA), eV:	-8.65(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chloroanilino)-2,2-dimethyl-3-oxopropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(C)(C)C(=O)OC)C

DOS

IR

Vibrations