Geometry & MOs

Info

ID:	201600
PubChem CID:	79562074
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	281.134656
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	1.75
IP(EA), eV:	-8.88(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CC2CCC1C2)C3=COC=C3

DOS

IR

Vibrations