Geometry & MOs

Info

ID:	441122
PubChem CID:	135233196
Reduced:	BrN3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	303.211587
ΔH_f, kcal/mol:	72.6
Dipole, Da:	3.0
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-5-[4-(3-methylbut-1-en-2-yl)-5-methylidene-3-phosphanylcyclohexa-1,3-dien-1-yl]hex-1-en-1-amine

Drug info:

PubChemData

Smile

C=CCN(CC=C)C1=NC=C(C=N1)CBr

DOS

IR

Vibrations