Geometry & MOs

Info

ID:	202923
PubChem CID:	79746118
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	321.05284
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	3.22
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(4-propan-2-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CC(=O)C(C)(CC)N(CC)CC

DOS

IR

Vibrations