Geometry & MOs

Info

ID:	420462
PubChem CID:	135113275
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	26.78
Dipole, Da:	3.97
IP(EA), eV:	-9.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=NC(=NO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations