Geometry & MOs

Info

ID:	199692
PubChem CID:	79283038
Reduced:	N2O5C12H20 (1)
Stoich.:	A2B5C12D20 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-156.63
Dipole, Da:	6.68
IP(EA), eV:	-9.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

COCCN(CCOC)C(=O)N(CC#C)CC(=O)O

DOS

IR

Vibrations