Geometry & MOs

Info

ID:	167925
PubChem CID:	74897530
Reduced:	O2N3C26H35 (1)
Stoich.:	A2B3C26D35 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-45.07
Dipole, Da:	6.08
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1C(C2C(NNC2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCC

DOS

IR

Vibrations