Geometry & MOs

Info

ID:	60864
PubChem CID:	26702749
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	403.00309
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	1.61
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations