Geometry & MOs

Info

ID:	207251
PubChem CID:	80367517
Reduced:	N2O2C11H22 (1)
Stoich.:	A2B2C11D22 (1)
Weight, g/mol:	260.094312
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	3.37
IP(EA), eV:	-9.02(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(3-ethoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCN(C1CCNC1)C(=O)CCCOC

DOS

IR

Vibrations