Geometry & MOs

Info

ID:	181346
PubChem CID:	76732692
Reduced:	O3N4C29H32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	476.161518
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	2.4
IP(EA), eV:	-8.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1C2C(CC(=O)N1CC3=CC=CC=N3)NN(C2=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations