Geometry & MOs

Info

ID:	126935
PubChem CID:	50984667
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	2.99
IP(EA), eV:	-8.88(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-N-(1H-benzimidazol-2-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN2C(C1)C(=O)NCC2=O)OC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations