Geometry & MOs

Info

ID:	287339
PubChem CID:	104237869
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	225.092042
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	6.53
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine

Drug info:

PubChemData

Smile

CCC(C#N)OC1=C(C=C(C=C1)[C@H](C)N)Cl

DOS

IR

Vibrations