Geometry & MOs

Info

ID:	399338
PubChem CID:	135039725
Reduced:	BrNSH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	231.081477
ΔH_f, kcal/mol:	57.56
Dipole, Da:	3.3
IP(EA), eV:	-8.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-N-(4-methylphenyl)aniline

Drug info:

PubChemData

Smile

CC(C1=CNC2=C1C=C(C=C2)Br)SC3=CC=CC=C3

DOS

IR

Vibrations