Geometry & MOs

Info

ID:	229885
PubChem CID:	87569437
Reduced:	NC5O5H9 (1)
Stoich.:	AB5C5D9 (1)
Weight, g/mol:	195.081477
ΔH_f, kcal/mol:	-235.85
Dipole, Da:	6.35
IP(EA), eV:	-11.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-5-phenylpent-2-en-1-amine

Drug info:

PubChemData

Smile

C(CN(C(=O)O)C(=O)O)CO

DOS

IR

Vibrations