Geometry & MOs

Info

ID:	185733
PubChem CID:	77341608
Reduced:	SiO3C24H34 (1)
Stoich.:	AB3C24D34 (1)
Weight, g/mol:	327.077454
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	1.71
IP(EA), eV:	-8.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]methyl]-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1CC(=C2C(=C1)C3CC2(O3)C4=CC(=C(C=C4)OC)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations