Geometry & MOs

Info

ID:	338901
PubChem CID:	127259912
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	316.094688
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	3.16
IP(EA), eV:	-9.62(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-methoxy-4-(3-phenylpropanoyloxy)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(C)(CC(=O)N)C1=CC=CC=C1

DOS

IR

Vibrations