Geometry & MOs

Info

ID:	410822
PubChem CID:	135083623
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	5.96
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-but-2-ynoxybut-2-en-1-ol

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)OC)/C=C/C=O

DOS

IR

Vibrations