Geometry & MOs

Info

ID:	306724
PubChem CID:	125235779
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-74.23
Dipole, Da:	5.87
IP(EA), eV:	-9.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6R,7aS)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CO[C@@H]2[C@@H]1N(C[C@H]2C(=O)N3CCOCC3)CC4=CC=NC=C4

DOS

IR

Vibrations