Geometry & MOs

Info

ID:	280832
PubChem CID:	103851522
Reduced:	O2N4C15H28 (1)
Stoich.:	A2B4C15D28 (1)
Weight, g/mol:	256.175105
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	3.25
IP(EA), eV:	-9.05(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-butan-2-yl-N-[(3,5-difluorophenyl)methyl]-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=C(N(N=C1)C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations