Geometry & MOs

Info

ID:	181341
PubChem CID:	76732555
Reduced:	ClN4O4C26H31 (1)
Stoich.:	AB4C4D26E31 (1)
Weight, g/mol:	511.117795
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	2.73
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-3a,4,7,7a-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

COCC1C2C(CC(=O)N1CC3=CC=CC=C3CN4CCOCC4)NN(C2=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations