Geometry & MOs

Info

ID:	253115
PubChem CID:	103116131
Reduced:	O3N7C11H11 (1)
Stoich.:	A3B7C11D11 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	19.55
Dipole, Da:	4.99
IP(EA), eV:	-9.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(ethylamino)-1-oxopropan-2-yl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN2C(=C(N=N2)C(=O)O)C3=NC=CN3C

DOS

IR

Vibrations