Geometry & MOs

Info

ID:	329077
PubChem CID:	126731093
Reduced:	NCl2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	387.1987
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	6.82
IP(EA), eV:	-9.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=C1C2=C(C(=CC=C2)Cl)Cl)C(=O)O)C)C

DOS

IR

Vibrations