Geometry & MOs

Info

ID:	279757
PubChem CID:	103845032
Reduced:	ClFN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-4.67
Dipole, Da:	3.52
IP(EA), eV:	-9.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]-4-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations