Geometry & MOs

Info

ID:	249678
PubChem CID:	103091316
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	1.47
IP(EA), eV:	-9.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)/C=C(\C)/C(C)O

DOS

IR

Vibrations