Geometry & MOs

Info

ID:	255138
PubChem CID:	103130260
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	213.090212
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	2.29
IP(EA), eV:	-8.77(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy-(1-methylpyrazol-3-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC(CN1C)(C2=NN(C=C2)C)O

DOS

IR

Vibrations