Geometry & MOs

Info

ID:	384751
PubChem CID:	134977610
Reduced:	BrPC22H32 (1)
Stoich.:	ABC22D32 (1)
Weight, g/mol:	249.15175
ΔH_f, kcal/mol:	-17.22
Dipole, Da:	5.54
IP(EA), eV:	-8.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]aniline

Drug info:

PubChemData

Smile

CCCCCP(CCCCC)(C1=CC=CC=C1)(C2=CC=CC=C2)Br

DOS

IR

Vibrations