Geometry & MOs

Info

ID:	162111
PubChem CID:	57393649
Reduced:	O2F3N3H16C23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-139.69
Dipole, Da:	8.93
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=NC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations