Geometry & MOs

Info

ID:	333907
PubChem CID:	127252459
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	11.12
Dipole, Da:	3.72
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,7aS)-5-(isoquinoline-1-carbonyl)-2-methyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]acetamide

Drug info:

PubChemData

Smile

C[C@]12C[C@H](N([C@H]1CCCC(=O)N2)CC3=NC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations