Geometry & MOs

Info

ID:	255117
PubChem CID:	103130099
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	2.66
IP(EA), eV:	-8.84(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C2=NN(C=C2)C)O)C

DOS

IR

Vibrations