Geometry & MOs

Info

ID:	338734
PubChem CID:	127259745
Reduced:	NC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	32.54
Dipole, Da:	6.04
IP(EA), eV:	-8.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-1-(4-methylphenyl)prop-1-en-2-yl]aniline

Drug info:

PubChemData

Smile

CCCCCCCCN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC=C2

DOS

IR

Vibrations