Geometry & MOs

Info

ID:	126112
PubChem CID:	50951998
Reduced:	SN5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	87.14
Dipole, Da:	7.08
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-[2-(pyrazol-1-ylmethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC=C(S2)CN3CCC(CC3)CC4=NN=CN4C

DOS

IR

Vibrations