Geometry & MOs

Info

ID:	249639
PubChem CID:	103091074
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	2.22
IP(EA), eV:	-9.33(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C(\C)/C(C)O)Br

DOS

IR

Vibrations