Geometry & MOs

Info

ID:	129507
PubChem CID:	51072877
Reduced:	SN2O2C18H26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	6.31
IP(EA), eV:	-9.02(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroisochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC3=CC=CS3

DOS

IR

Vibrations