Geometry & MOs

Info

ID:	376223
PubChem CID:	134222233
Reduced:	BrCl2O2F3N4H14C21 (1)
Stoich.:	AB2C2D3E4F14G21 (1)
Weight, g/mol:	237.128427
ΔH_f, kcal/mol:	-171.39
Dipole, Da:	4.59
IP(EA), eV:	-9.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-5-chloro-4-methylpent-1-enyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)N3C=CC(=NC3=O)N)Cl)C(F)(F)F)Br)C(=O)N

DOS

IR

Vibrations