Geometry & MOs

Info

ID:	167922
PubChem CID:	74897239
Reduced:	OCl2N3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	438.101417
ΔH_f, kcal/mol:	35.25
Dipole, Da:	3.63
IP(EA), eV:	-9.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(C3C(NNC3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations