Geometry & MOs

Info

ID:	253017
PubChem CID:	103115488
Reduced:	O3N6C11H14 (1)
Stoich.:	A3B6C11D14 (1)
Weight, g/mol:	290.112738
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	10.18
IP(EA), eV:	-9.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azetidin-1-yl)-2-oxoethyl]-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(=C(N=N1)C(=O)O)C2=CN=CN2C

DOS

IR

Vibrations