Geometry & MOs

Info

ID:	33173
PubChem CID:	7885271
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	375.04701
ΔH_f, kcal/mol:	-161.94
Dipole, Da:	3.41
IP(EA), eV:	-9.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N)C

DOS

IR

Vibrations