Geometry & MOs

Info

ID:	306763
PubChem CID:	125240948
Reduced:	N3O4C18H29 (1)
Stoich.:	A3B4C18D29 (1)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	8.09
IP(EA), eV:	-8.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7S,7aS)-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

CC1=C(C(=NO1)C)CN2C[C@H]3COC[C@H]([C@H]3C2)CC(=O)NCCOC

DOS

IR

Vibrations