Geometry & MOs

Info

ID:	193547
PubChem CID:	78405535
Reduced:	O2N4C20H31 (1)
Stoich.:	A2B4C20D31 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-63.83
Dipole, Da:	16.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.017842
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[bis(2-methylpropyl)amino]ethyl]-5-methyl-2-oxo-3H-1,6-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC2=NC(=O)C(C=C12)C(=O)NCC[NH+](CC(C)C)CC(C)C

DOS

IR

Vibrations