Geometry & MOs

Info

ID:	167920
PubChem CID:	74897232
Reduced:	OCl2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	474.158931
ΔH_f, kcal/mol:	-0.16
Dipole, Da:	5.34
IP(EA), eV:	-8.91(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(C2C(NNC2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations