Geometry & MOs

Info

ID:	37296
PubChem CID:	8019244
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	414.131468
ΔH_f, kcal/mol:	-30.79
Dipole, Da:	3.0
IP(EA), eV:	-8.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations