Geometry & MOs

Info

ID:	217224
PubChem CID:	85087462
Reduced:	FOSN2C19H21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.95
IP(EA), eV:	-9.19(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-[(6-methoxy-4-methylquinolin-8-yl)amino]pentyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CC2(C3=CC=C(C=C3)F)C(=O)NC4=NC=CS4

DOS

IR

Vibrations