Geometry & MOs

Info

ID:	178798
PubChem CID:	76383744
Reduced:	BrNO5H22C24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	403.141973
ΔH_f, kcal/mol:	-146.32
Dipole, Da:	6.61
IP(EA), eV:	-8.99(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-2-oxobenzo[h]chromen-4-yl)methyl 2-amino-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=CC=CC=C31)OC(=O)C=C2COC(=O)C(CC4=CC=CC=C4)N.Br

DOS

IR

Vibrations