Geometry & MOs

Info

ID:	306743
PubChem CID:	125236994
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	3.12
IP(EA), eV:	-9.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,3aR,7aR)-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

COCCO[C@@H]1CCN([C@@H]1CC2=CN=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations