Geometry & MOs

Info

ID:	249755
PubChem CID:	103091885
Reduced:	BrNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	245.102749
ΔH_f, kcal/mol:	12.06
Dipole, Da:	0.99
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)Br)/C)N

DOS

IR

Vibrations