Geometry & MOs

Info

ID:	31797
PubChem CID:	3718404
Reduced:	NO6C26H29 (1)
Stoich.:	AB6C26D29 (1)
Weight, g/mol:	451.199488
ΔH_f, kcal/mol:	-222.94
Dipole, Da:	7.06
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-2-oxo-4-propylchromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CCC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations