Geometry & MOs

Info

ID:	269574
PubChem CID:	103618004
Reduced:	ClNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	375.02368
ΔH_f, kcal/mol:	-158.98
Dipole, Da:	3.76
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate

Drug info:

PubChemData

Smile

CCC(CC)CN(CC(=O)OC)C(=O)C1=CC=C(O1)Cl

DOS

IR

Vibrations