Geometry & MOs

Info

ID:	296399
PubChem CID:	117571815
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	258.069054
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	1.99
IP(EA), eV:	-7.8(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dichloroaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NCC2(CCC2)CN)OC

DOS

IR

Vibrations