Geometry & MOs

Info

ID:	131483
PubChem CID:	51212036
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	4.29
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-ethoxy-3-methoxybenzamide

Drug info:

PubChemData

Smile

C1C(COC2=CC=CC=C21)CNC(=O)CNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations