Geometry & MOs

Info

ID:	398176
PubChem CID:	135032154
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	341.12949
ΔH_f, kcal/mol:	6.34
Dipole, Da:	4.77
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2CN(CN3N2CCC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations