Geometry & MOs

Info

ID:	306970
PubChem CID:	125264464
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	57.73
Dipole, Da:	4.51
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1[C@H]2CCN(C[C@@H]2C[C@H]1CN3C=CC=N3)C(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations