Geometry & MOs

Info

ID:	420266
PubChem CID:	135112141
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	6.21
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC=C(S2)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations