Geometry & MOs

Info

ID:	339530
PubChem CID:	127261520
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	-33.4
Dipole, Da:	5.51
IP(EA), eV:	-9.02(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C\C2=CC=CC=C2NCC(=O)O

DOS

IR

Vibrations