Geometry & MOs

Info

ID:	168957
PubChem CID:	75045928
Reduced:	ClN2O4C22H33 (1)
Stoich.:	AB2C4D22E33 (1)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	-130.02
Dipole, Da:	0.88
IP(EA), eV:	-8.19(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC(CON=CC2=CC(=C(C=C2)OC)OC3CCCC3)Cl

DOS

IR

Vibrations