Geometry & MOs

Info

ID:	422202
PubChem CID:	135117393
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-118.44
Dipole, Da:	6.18
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CC=CC=C2N1CC(=O)N3CCC4(CC3)C5=C(CCO4)C=CC=C5OC

DOS

IR

Vibrations