Geometry & MOs

Info

ID:	207444
PubChem CID:	80397390
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	242.159455
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	2.17
IP(EA), eV:	-8.05(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(2,4-difluorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNC2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations