Geometry & MOs

Info

ID:	200634
PubChem CID:	79418721
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	302.06701
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	4.07
IP(EA), eV:	-9.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-3-(4-methylphenyl)propan-2-yl]-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(CCC2=CC=CC=N2)C(=O)O

DOS

IR

Vibrations