Geometry & MOs

Info

ID:	252963
PubChem CID:	103115184
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	264.097088
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	5.69
IP(EA), eV:	-9.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=C(N=N2)C(=O)O)C3=CN(N=C3)C

DOS

IR

Vibrations