Geometry & MOs

Info

ID:	291721
PubChem CID:	113460521
Reduced:	BrOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	303.06226
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	5.58
IP(EA), eV:	-9.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-methylphenyl)-(2,4-dimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)C)Br

DOS

IR

Vibrations