Geometry & MOs

Info

ID:	167930
PubChem CID:	74897535
Reduced:	N3O4C31H37 (1)
Stoich.:	A3B4C31D37 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	5.47
IP(EA), eV:	-8.23(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2C3C(NNC3C(=O)N2CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

DOS

IR

Vibrations