Geometry & MOs

Info

ID:	192206
PubChem CID:	78244459
Reduced:	O3C12H13 (2)
Stoich.:	A3B12C13 (2)
Weight, g/mol:	428.09009
ΔH_f, kcal/mol:	-113.55
Dipole, Da:	4.98
IP(EA), eV:	-8.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COC2CCC3C(C2)OC=C(C3=O)OC4=CC=CC=C4OC

DOS

IR

Vibrations