Geometry & MOs

Info

ID:	89569
PubChem CID:	49962737
Reduced:	OC20H26 (1)
Stoich.:	AB20C26 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-50.53
Dipole, Da:	2.27
IP(EA), eV:	-9.11(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(C2=C(C=C(C=C2C)C)C)O

DOS

IR

Vibrations