Geometry & MOs

Info

ID:	181345
PubChem CID:	76732567
Reduced:	ClN4O4H25C26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-58.44
Dipole, Da:	4.93
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2-(4-phenylmethoxyphenyl)-5-(pyridin-2-ylmethyl)-3a,4,7,7a-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC2C3C(CC(=O)N2CC4=CC=NC=C4)NN(C3=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations