Geometry & MOs

Info

ID:	246176
PubChem CID:	103047825
Reduced:	ClFNC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	255.119005
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	2.26
IP(EA), eV:	-9.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)(CC2=C(C=CC(=C2)Cl)F)N

DOS

IR

Vibrations