Geometry & MOs

Info

ID:	253929
PubChem CID:	103121647
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	170.080376
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	5.59
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-ethyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC(=O)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations