Geometry & MOs

Info

ID:	398179
PubChem CID:	135032165
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	361.140197
ΔH_f, kcal/mol:	25.27
Dipole, Da:	3.12
IP(EA), eV:	-9.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-(2,4,6-trifluorophenyl)-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)[N+](=O)[O-]

DOS

IR

Vibrations