Geometry & MOs

Info

ID:	306888
PubChem CID:	125264192
Reduced:	FO2N5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	3.99
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,3aR,7aR)-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@H]1N(CC2)C3=NC=C(C=N3)F)CCN4CCOCC4

DOS

IR

Vibrations