Geometry & MOs

Info

ID:	416650
PubChem CID:	135089957
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	4.07
IP(EA), eV:	-9.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpyrazol-1-yl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations