Geometry & MOs

Info

ID:	23474
PubChem CID:	603901
Reduced:	BrNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	375.04701
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	5.04
IP(EA), eV:	-9.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(4-bromobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations