Geometry & MOs

Info

ID:	306925
PubChem CID:	125264355
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	39.56
Dipole, Da:	3.3
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5R,7aR)-5-(cyclopropylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C)N1[C@@H]2CCN(C[C@H]2C[C@H]1CN3CN=CN3)C(=O)C4=NC=CC4

DOS

IR

Vibrations