Geometry & MOs

Info

ID:	184504
PubChem CID:	77170559
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	485.178707
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	5.16
IP(EA), eV:	-8.65(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[8-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CN1CCC(C1)NC(=O)N2CCC3C(C2)C(NN3)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations