Geometry & MOs

Info

ID:	264418
PubChem CID:	103460113
Reduced:	FN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	226.123676
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	3.34
IP(EA), eV:	-8.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-N-(2,2-dimethylbutyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=C(C=C(C=C1)F)N

DOS

IR

Vibrations