Geometry & MOs

Info

ID:	181342
PubChem CID:	76732556
Reduced:	Cl2O3N5H23C25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	473.171749
ΔH_f, kcal/mol:	-16.82
Dipole, Da:	3.2
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C(C(N(C1=O)CC3=NC=CN=C3)COCC4=CC=CC=C4Cl)C(=O)N(N2)C5=CC=CC=C5Cl

DOS

IR

Vibrations