Geometry & MOs

Info

ID:	200769
PubChem CID:	79441572
Reduced:	BrN4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	287.144077
ΔH_f, kcal/mol:	60.24
Dipole, Da:	4.83
IP(EA), eV:	-9.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CC(CNC)C2=CC=C(C=C2)Br

DOS

IR

Vibrations