Geometry & MOs

Info

ID:	55808
PubChem CID:	17396594
Reduced:	ClOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	374.149124
ΔH_f, kcal/mol:	52.19
Dipole, Da:	5.06
IP(EA), eV:	-9.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(S2)Cl)CN3C=CC=N3

DOS

IR

Vibrations