Geometry & MOs

Info

ID:	422697
PubChem CID:	135118262
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-4.25
Dipole, Da:	2.93
IP(EA), eV:	-9.11(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CC(CCN(CCO)CC1=CN=CN1C)C2=CC=CC=C2

DOS

IR

Vibrations