Geometry & MOs

Info

ID:	126745
PubChem CID:	50976668
Reduced:	F3N3O3C12H16 (1)
Stoich.:	A3B3C3D12E16 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-204.56
Dipole, Da:	6.72
IP(EA), eV:	-10.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=NO1)COC)C(=O)C2(CC2)C(F)(F)F

DOS

IR

Vibrations