Geometry & MOs

Info

ID:	415944
PubChem CID:	135088946
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	4.16
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(1,5-dimethylpyrazol-4-yl)sulfonyl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CNCC(=O)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations