Geometry & MOs

Info

ID:	126451
PubChem CID:	50965531
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	3.28
IP(EA), eV:	-8.85(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3S,3aS,6aR)-1-(1-ethylpyrazol-4-yl)-5-methyl-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(CCN(CC2)C(=O)C)C(=N1)N(C)CCCN3CCCC3

DOS

IR

Vibrations