Geometry & MOs

Info

ID:	337937
PubChem CID:	127258560
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	4.96
IP(EA), eV:	-10.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxyphenyl)methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C(=C/C#N)/C

DOS

IR

Vibrations