Geometry & MOs

Info

ID:	287847
PubChem CID:	104296414
Reduced:	BrOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	330.06193
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	4.24
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(4-tert-butylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=C(C(=C(C(=C2C)C)C)C)C)Br

DOS

IR

Vibrations