Geometry & MOs

Info

ID:	89722
PubChem CID:	49964062
Reduced:	OSN2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	43.58
Dipole, Da:	2.0
IP(EA), eV:	-8.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC3=CC=CC(=C31)C(C4=CN=CC=C4)O

DOS

IR

Vibrations