Geometry & MOs

Info

ID:	261973
PubChem CID:	103263487
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	5.49
IP(EA), eV:	-9.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-ethyl-4-[2-(triazol-1-yl)ethylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

C/C(=C/C(=O)O)/CNCCN1C=CN=N1

DOS

IR

Vibrations