Geometry & MOs

Info

ID:	291720
PubChem CID:	113460506
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	316.04628
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	4.45
IP(EA), eV:	-9.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-methylphenyl)-(4-propylphenyl)methanone

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)C2=CC(=CC(=C2)C)Br)C(=O)O

DOS

IR

Vibrations