Geometry & MOs

Info

ID:	53440
PubChem CID:	14715943
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	2.6
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxybutyl 2-[hydroxy(phenyl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CN(C=O)C=O)C

DOS

IR

Vibrations