Geometry & MOs

Info

ID:	62308
PubChem CID:	26719128
Reduced:	BrNO2F4H8C16 (1)
Stoich.:	ABC2D4E8F16 (1)
Weight, g/mol:	394.01643
ΔH_f, kcal/mol:	-189.82
Dipole, Da:	3.69
IP(EA), eV:	-9.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C(=C(C(=C2F)F)F)F)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations