Geometry & MOs

Info

ID:	73084
PubChem CID:	48416969
Reduced:	OS2N5H9C13 (1)
Stoich.:	AB2C5D9E13 (1)
Weight, g/mol:	295.081773
ΔH_f, kcal/mol:	97.16
Dipole, Da:	5.71
IP(EA), eV:	-9.3(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations