Geometry & MOs

Info

ID:	172223
PubChem CID:	75481508
Reduced:	BrNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	3.2
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-methoxycarbonylanilino)propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC(=C1)Br)N)O

DOS

IR

Vibrations