Geometry & MOs

Info

ID:	414523
PubChem CID:	135087482
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-146.63
Dipole, Da:	3.82
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5R)-9-[(5-methylfuran-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)CO

DOS

IR

Vibrations