Geometry & MOs

Info

ID:	31796
PubChem CID:	3718399
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	451.199488
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	7.04
IP(EA), eV:	-8.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)C(=NNC2=CC=CC=C2C)C)O

DOS

IR

Vibrations