Geometry & MOs

Info

ID:	299015
PubChem CID:	117667561
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	444.157974
ΔH_f, kcal/mol:	15.15
Dipole, Da:	3.31
IP(EA), eV:	-8.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[(1-methylsulfonylpyrrolidin-3-yl)carbamoyl]pyridin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN=CC(=C1)C2=CC3=C(NCCC3)N=C2

DOS

IR

Vibrations