Geometry & MOs

Info

ID:	399562
PubChem CID:	135040932
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	239.1674
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	3.27
IP(EA), eV:	-8.2(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(4-methylphenyl)propyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C2C=C(C=CN2)C(=O)OC

DOS

IR

Vibrations