Geometry & MOs

Info

ID:	182556
PubChem CID:	76906143
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-131.98
Dipole, Da:	5.84
IP(EA), eV:	-9.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-5-(1-methoxypropan-2-ylcarbamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations