Geometry & MOs

Info

ID:	416054
PubChem CID:	135089059
Reduced:	O5N7C29H37 (1)
Stoich.:	A5B7C29D37 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	7.07
IP(EA), eV:	-9.45(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)C3=COC=C3)C(=O)C4=NN5C=CC=NC5=C4

DOS

IR

Vibrations