Geometry & MOs

Info

ID:	205963
PubChem CID:	80184536
Reduced:	ClFNOC17H19 (1)
Stoich.:	ABCDE17F19 (1)
Weight, g/mol:	293.134656
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	2.72
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(4-chloro-2-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

CCCNC(COC1=CC=CC=C1)C2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations