Geometry & MOs

Info

ID:	50927
PubChem CID:	12013521
Reduced:	BrNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	2.64
IP(EA), eV:	-8.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyanilino)-3-methyl-4-(2-methylphenyl)butan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations