Geometry & MOs

Info

ID:	39210
PubChem CID:	8139923
Reduced:	BrOSN2C20H25 (1)
Stoich.:	ABCD2E20F25 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-8.57
Dipole, Da:	4.41
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[[2-(3-methylphenoxy)acetyl]oxymethyl]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1CN(C)C)SCC2=CC=C(C=C2)Br

DOS

IR

Vibrations