Geometry & MOs

Info

ID:	306901
PubChem CID:	125264231
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	8.59
Dipole, Da:	8.36
IP(EA), eV:	-9.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,7aS)-N-(furan-2-ylmethyl)-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

Drug info:

PubChemData

Smile

CN1[C@@H]2CCN([C@@H]2CC1=O)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations