Geometry & MOs

Info

ID:	422318
PubChem CID:	135117630
Reduced:	ClNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	390.152575
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	2.37
IP(EA), eV:	-9.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations