Geometry & MOs

Info

ID:	287332
PubChem CID:	104237100
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	3.98
IP(EA), eV:	-8.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]butanoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCCCC=C)Cl)NC

DOS

IR

Vibrations