Geometry & MOs

Info

ID:	416195
PubChem CID:	135089205
Reduced:	O2N3C12H16 (2)
Stoich.:	A2B3C12D16 (2)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	1.86
IP(EA), eV:	-9.11(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)C4CC4

DOS

IR

Vibrations