Geometry & MOs

Info

ID:	249949
PubChem CID:	103093069
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	362.96564
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	4.41
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,5-dibromo-2-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)/C=C(/C)\C(C)NC

DOS

IR

Vibrations