Geometry & MOs

Info

ID:	287851
PubChem CID:	104296464
Reduced:	BrClO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	331.02079
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	4.16
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-bromo-3-methylbenzoyl)phenyl]-N-methylformamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2Cl)OC)OC)Br

DOS

IR

Vibrations