Geometry & MOs

Info

ID:	272014
PubChem CID:	103717004
Reduced:	NOF2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	5.27
IP(EA), eV:	-9.22(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(COC)C2=CC=CC=C2

DOS

IR

Vibrations