Geometry & MOs

Info

ID:	418250
PubChem CID:	135103945
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	6.69
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C(C1)CNC(=O)CCCC3=CN(CCCOC4=CC=C(C2=O)C=C4)N=N3

DOS

IR

Vibrations