Geometry & MOs

Info

ID:	68365
PubChem CID:	46508267
Reduced:	ClOSN4C15H17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	35.04
Dipole, Da:	8.88
IP(EA), eV:	-9.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NN=CN2C3CC3

DOS

IR

Vibrations