Geometry & MOs

Info

ID:	423292
PubChem CID:	135119241
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	2.3
IP(EA), eV:	-9.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-phenylpyrazol-3-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations