Geometry & MOs

Info

ID:	440913
PubChem CID:	135232164
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	494.195405
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	4.67
IP(EA), eV:	-8.91(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1(CN(CCCCC1=O)C)C

DOS

IR

Vibrations