Geometry & MOs

Info

ID:	12241
PubChem CID:	133412
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	22.58
Dipole, Da:	1.84
IP(EA), eV:	-9.25(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyrazol-1-ylmethyl)phenol

Drug info:

PubChemData

Smile

C1=CN(N=C1)CC2=CC=C(C=C2)O

DOS

IR

Vibrations