Geometry & MOs

Info

ID:	379003
PubChem CID:	134228849
Reduced:	FO3N7C17H20 (1)
Stoich.:	AB3C7D17E20 (1)
Weight, g/mol:	258.278347
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	4.81
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylbutylamino)ethyl]-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)N(C=N1)C2=C(C=CC(=C2)NC3=NC=C(C(=N3)N)F)OC)O

DOS

IR

Vibrations