Geometry & MOs

Info

ID:	246178
PubChem CID:	103047833
Reduced:	ClFNC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	297.165956
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	2.4
IP(EA), eV:	-9.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(C1)(CC3=C(C=CC(=C3)Cl)F)N

DOS

IR

Vibrations