Geometry & MOs

Info

ID:	398175
PubChem CID:	135032147
Reduced:	BrON2H13C19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	118.61
Dipole, Da:	7.24
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=CC=CC(=CC3C2(C#N)C#N)Br

DOS

IR

Vibrations