Geometry & MOs

Info

ID:	162112
PubChem CID:	57393651
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	323.13578
ΔH_f, kcal/mol:	11.82
Dipole, Da:	2.86
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4,5,6-trifluorobenzimidazol-2-ylidene)methanamine

Drug info:

PubChemData

Smile

CN1C[C@@H]2CN(C[C@@H]2C1)C(=O)C3=CC4=C(N3)N=CC=C4

DOS

IR

Vibrations