Geometry & MOs

Info

ID:	248133
PubChem CID:	103079168
Reduced:	O2N3C9H17 (1)
Stoich.:	A2B3C9D17 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	3.85
IP(EA), eV:	-8.17(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCCOCCOC1=NN(C=C1N)C

DOS

IR

Vibrations