Geometry & MOs

Info

ID:	280887
PubChem CID:	103851770
Reduced:	NSF2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	-93.34
Dipole, Da:	4.26
IP(EA), eV:	-8.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations