Geometry & MOs

Info

ID:	411470
PubChem CID:	135084301
Reduced:	NO2S2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-44.29
Dipole, Da:	4.74
IP(EA), eV:	-9.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C/C=N/S(=O)(=O)C1=CC=CS1

DOS

IR

Vibrations