Geometry & MOs

Info

ID:	246063
PubChem CID:	103041079
Reduced:	ClFNC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	285.165956
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	3.59
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(CC1=CC(=C(C=C1)F)Cl)CNCC

DOS

IR

Vibrations