Geometry & MOs

Info

ID:	252947
PubChem CID:	103115080
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	293.087252
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.11
IP(EA), eV:	-9.39(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(carbamoylamino)-2-oxoethyl]-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN)CC2=CC=CC(=C2)C

DOS

IR

Vibrations