Geometry & MOs

Info

ID:	419625
PubChem CID:	135108560
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	6.04
IP(EA), eV:	-9.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[6-(1,2,4-triazol-4-yl)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=NC(=NO3)COC

DOS

IR

Vibrations