Geometry & MOs

Info

ID:	280901
PubChem CID:	103851827
Reduced:	ClN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	49.93
Dipole, Da:	2.11
IP(EA), eV:	-8.89(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CC(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations