Geometry & MOs

Info

ID:	68007
PubChem CID:	46507595
Reduced:	ClN2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	7.35
IP(EA), eV:	-8.61(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(3,5-dimethylphenyl)carbamoyl]chromen-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C\2=CC3=CC=CC=C3O/C2=N\OC(=O)C)Cl

DOS

IR

Vibrations