Geometry & MOs

Info

ID:	122117
PubChem CID:	50795157
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	458.147786
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	8.36
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(benzylamino)-2-oxochromen-3-yl]carbamoyl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC2=C(C(=O)OC3=CC=CC=C32)NC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations