Geometry & MOs

Info

ID:	167923
PubChem CID:	74897240
Reduced:	OCl2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	405.101082
ΔH_f, kcal/mol:	51.73
Dipole, Da:	6.56
IP(EA), eV:	-9.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-5-(2-methoxyethyl)-3-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3C(C(=O)N(C3C4=C(C=C(C=C4)Cl)Cl)CC5=CC=NC=C5)NN2

DOS

IR

Vibrations