Geometry & MOs

Info

ID:	261736
PubChem CID:	103248191
Reduced:	N2O2C9H18 (1)
Stoich.:	A2B2C9D18 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	2.28
IP(EA), eV:	-9.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-4-[(5-methylthiophen-2-yl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCNCCN)C(=O)OC

DOS

IR

Vibrations