Geometry & MOs

Info

ID:	333908
PubChem CID:	127252460
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	4.47
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@@]12CCN(C[C@@H]1CN(C2)C)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations