Geometry & MOs

Info

ID:	310364
PubChem CID:	126579279
Reduced:	SO3N6C12H12 (1)
Stoich.:	AB3C6D12E12 (1)
Weight, g/mol:	211.1361
ΔH_f, kcal/mol:	78.26
Dipole, Da:	6.43
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,5-trimethylphenyl)aniline

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1COC2=NN(C=C2)O)N3C(=O)N=NN3

DOS

IR

Vibrations