Geometry & MOs

Info

ID:	356043
PubChem CID:	127291079
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-158.89
Dipole, Da:	4.55
IP(EA), eV:	-9.06(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations