Geometry & MOs

Info

ID:	307010
PubChem CID:	125264644
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	56.44
Dipole, Da:	6.53
IP(EA), eV:	-9.08(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aS,6aS)-4-(furan-3-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CC[C@@H]3[C@@H](C2)C[C@@H](N3C)CN4C=NC=N4

DOS

IR

Vibrations