Geometry & MOs

Info

ID:	416368
PubChem CID:	135089381
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	32.48
Dipole, Da:	3.77
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl-[4-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=CC=CC=C3N4C=CC=N4

DOS

IR

Vibrations