Geometry & MOs

Info

ID:	340464
PubChem CID:	127262475
Reduced:	BrClNO2H11C17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	8.1
Dipole, Da:	4.42
IP(EA), eV:	-8.71(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminobutyl)-1,8-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Br)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations