Geometry & MOs

Info

ID:	306816
PubChem CID:	125241006
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-14.1
Dipole, Da:	5.59
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R,3aR,7aS)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1C[C@]2(CN(C[C@H]2CN(C1)C3=NC=CC=N3)CC4=CN=CC=C4)C(=O)O

DOS

IR

Vibrations