Geometry & MOs

Info

ID:	126252
PubChem CID:	50957386
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	85.59
Dipole, Da:	4.88
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR,6aR)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CN=C(C(=C2)C)N)N3C=CC=N3

DOS

IR

Vibrations