Geometry & MOs

Info

ID:	314575
PubChem CID:	126622247
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	319.204848
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	2.61
IP(EA), eV:	-8.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(aminomethyl)phenyl]-3-pentylquinolin-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)SC)CC(=O)O

DOS

IR

Vibrations