Geometry & MOs

Info

ID:	199717
PubChem CID:	79287158
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	194.091609
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	3.5
IP(EA), eV:	-9.24(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(prop-2-ynylamino)-N-(2H-tetrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C#CCNCC(=O)N1CCOC2C1CCC2

DOS

IR

Vibrations