Geometry & MOs

Info

ID:	253997
PubChem CID:	103122080
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	80.22
Dipole, Da:	5.19
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N(CC#C)CC3CC3

DOS

IR

Vibrations