Geometry & MOs

Info

ID:	306762
PubChem CID:	125240946
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	3.85
IP(EA), eV:	-8.61(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7S,7aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CN1[C@@H](C[C@@H]2[C@H]1CN(C2)C3=NC=CC=N3)C(=O)NCCN(C)C

DOS

IR

Vibrations