Geometry & MOs

Info

ID:	217445
PubChem CID:	85087836
Reduced:	SiO2C22H40 (1)
Stoich.:	AB2C22D40 (1)
Weight, g/mol:	364.083937
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	4.44
IP(EA), eV:	-8.64(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-aminopyridin-4-yl)-3-(4-chlorophenyl)pyrazol-1-yl]-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C)C1CCC23C1(CC(C2(C(=O)CC3)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations