Geometry & MOs

Info

ID:	189491
PubChem CID:	77865548
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	386.215827
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	4.72
IP(EA), eV:	-9.09(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[1-amino-2-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylcyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C(=O)N2CC(CC2CCN3C=CN=C3)OCC4=CC=CC=C4)N

DOS

IR

Vibrations