Geometry & MOs

Info

ID:	65265
PubChem CID:	29207476
Reduced:	SN4O4H11C14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	369.170194
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	9.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770176
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethyl-6-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-imidazo[4,5-c]pyrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)[O-]

DOS

IR

Vibrations