Geometry & MOs

Info

ID:	398178
PubChem CID:	135032161
Reduced:	ClON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	20.41
Dipole, Da:	2.35
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-(4-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[1,2-a][1,2,4]triazin-8-one

Drug info:

PubChemData

Smile

C1CN2C(CN(CN2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations