Geometry & MOs

Info

ID:	51695
PubChem CID:	12014411
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	517.14199
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	3.41
IP(EA), eV:	-10.31(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[1-acetyl-5-(4-hydroxyphenyl)-3H-pyrazol-2-yl]amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1CC(=C)C(O1)O

DOS

IR

Vibrations