Geometry & MOs

Info

ID:	261634
PubChem CID:	103242890
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	5.71
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(C)NCC2=CC=C(S2)C(=O)O

DOS

IR

Vibrations