Geometry & MOs

Info

ID:	59642
PubChem CID:	24891326
Reduced:	NO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	325.152537
ΔH_f, kcal/mol:	-178.56
Dipole, Da:	6.45
IP(EA), eV:	-9.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,3-dihydroxypropyl)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations