Geometry & MOs

Info

ID:	70784
PubChem CID:	48413869
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	298.117824
ΔH_f, kcal/mol:	92.57
Dipole, Da:	3.68
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations