Geometry & MOs

Info

ID:	302556
PubChem CID:	124385053
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	6.32
IP(EA), eV:	-9.22(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-N-(6-methoxy-4-methylquinolin-8-yl)-5-methylhexane-1,4-diamine

Drug info:

PubChemData

Smile

C1=C(NC=N1)[C@@H](CCCN)C(=O)O

DOS

IR

Vibrations