Geometry & MOs

Info

ID:	355863
PubChem CID:	127290715
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	30.5
Dipole, Da:	3.6
IP(EA), eV:	-8.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)N2CC3=CC=CC=C3C2)C4=NC=CC=N4

DOS

IR

Vibrations