Geometry & MOs

Info

ID:	398180
PubChem CID:	135032166
Reduced:	OF3N3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	357.184112
ΔH_f, kcal/mol:	-108.5
Dipole, Da:	3.49
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-naphthalen-1-yl-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=C(C=C(C=C4F)F)F

DOS

IR

Vibrations