Geometry & MOs

Info

ID:	225507
PubChem CID:	85852595
Reduced:	ClNO3C12H22 (1)
Stoich.:	ABC3D12E22 (1)
Weight, g/mol:	425.21435
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	1.83
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-tritylphenyl)aniline

Drug info:

PubChemData

Smile

C1COCCN1CCCCCCCOC(=O)Cl

DOS

IR

Vibrations