Geometry & MOs

Info

ID:	306895
PubChem CID:	125264218
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	5.83
IP(EA), eV:	-8.69(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,3aS,7aR)-1-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H]([C@@H]2[C@H]1CCCO2)NC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations