Geometry & MOs

Info

ID:	50926
PubChem CID:	12013520
Reduced:	ClNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	361.06774
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	3.55
IP(EA), eV:	-8.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-4-(4-methoxyanilino)-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations