Geometry & MOs

Info

ID:	296400
PubChem CID:	117571833
Reduced:	ClNC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	258.069054
ΔH_f, kcal/mol:	4.93
Dipole, Da:	2.77
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3-dichloroaniline

Drug info:

PubChemData

Smile

C1CC(C1)(CN)CNC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations