Geometry & MOs

Info

ID:	371993
PubChem CID:	131284605
Reduced:	BrON2F4H5C7 (1)
Stoich.:	ABC2D4E5F7 (1)
Weight, g/mol:	167.050177
ΔH_f, kcal/mol:	-215.78
Dipole, Da:	4.09
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-chlorophenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1OC(F)(F)F)CBr)F)N

DOS

IR

Vibrations