Geometry & MOs

Info

ID:	277227
PubChem CID:	103827374
Reduced:	OSN5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	263.003532
ΔH_f, kcal/mol:	57.76
Dipole, Da:	7.42
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C(=C2)N

DOS

IR

Vibrations