Geometry & MOs

Info

ID:	440909
PubChem CID:	135232158
Reduced:	SN5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	84.98
Dipole, Da:	3.02
IP(EA), eV:	-8.89(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCC1=CN=C(C=N1)C2=NC(=NS2)N

DOS

IR

Vibrations