Geometry & MOs

Info

ID:	418798
PubChem CID:	135106823
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	1.58
IP(EA), eV:	-8.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CCCOC3=CC=CC=C3

DOS

IR

Vibrations