Geometry & MOs

Info

ID:	253105
PubChem CID:	103116070
Reduced:	O3N6C11H14 (1)
Stoich.:	A3B6C11D14 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	-41.31
Dipole, Da:	5.98
IP(EA), eV:	-9.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methylamino)-4-oxobutyl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC)N1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations