Geometry & MOs

Info

ID:	306884
PubChem CID:	125264170
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	333.241627
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	3.72
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,7aR)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-(4-methylpiperazin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CC[C@@H]3[C@@H]2CCC(=O)N3C4=CN(N=C4)C

DOS

IR

Vibrations