Geometry & MOs

Info

ID:	173081
PubChem CID:	75593803
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	4.92
IP(EA), eV:	-8.91(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2CCN(CC2O)C(=O)C3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations