Geometry & MOs

Info

ID:	287340
PubChem CID:	104237939
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	278.998447
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	4.16
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC(C)C=C)Cl)N

DOS

IR

Vibrations