Geometry & MOs

Info

ID:	249944
PubChem CID:	103093024
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	287.00764
ΔH_f, kcal/mol:	-2.33
Dipole, Da:	2.96
IP(EA), eV:	-8.13(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromo-2-chlorophenyl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(C2=CC=CC=C12)OC)/C)NC

DOS

IR

Vibrations