Geometry & MOs

Info

ID:	184021
PubChem CID:	77102317
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	3.95
IP(EA), eV:	-9.01(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN(C)CC1=C(OC=C1)C)C(=O)OC

DOS

IR

Vibrations