Geometry & MOs

Info

ID:	309175
PubChem CID:	126539509
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	329.195506
ΔH_f, kcal/mol:	13.61
Dipole, Da:	7.95
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)C2=CSC=C2)[N+](=O)[O-])NC(=O)C3CC3

DOS

IR

Vibrations