Geometry & MOs

Info

ID:	415062
PubChem CID:	135088048
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-145.71
Dipole, Da:	2.88
IP(EA), eV:	-9.17(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-4-yl-(4-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)C

DOS

IR

Vibrations