Geometry & MOs

Info

ID:	264359
PubChem CID:	103457055
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	4.93
IP(EA), eV:	-8.95(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)OC1=CN=CC(=C1)C(C(C(C)(C)C)O)O

DOS

IR

Vibrations