Geometry & MOs

Info

ID:	277404
PubChem CID:	103828291
Reduced:	BrON4H11C15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	38.01
Dipole, Da:	8.72
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-hydroxy-4-methylpentyl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)NC3=CN=C(C=C3)Br)N

DOS

IR

Vibrations