Geometry & MOs

Info

ID:	287887
PubChem CID:	104297473
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	343.02079
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	4.37
IP(EA), eV:	-9.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CCCC1CCCCN1C(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations