Geometry & MOs

Info

ID:	287853
PubChem CID:	104296468
Reduced:	BrNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	318.02554
ΔH_f, kcal/mol:	15.05
Dipole, Da:	5.49
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(2-methoxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CN2)C(=O)C3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations