Geometry & MOs

Info

ID:	261972
PubChem CID:	103263375
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-136.89
Dipole, Da:	7.38
IP(EA), eV:	-10.0(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-[2-(triazol-1-yl)ethylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC(C1CC1)C(=O)O

DOS

IR

Vibrations