Geometry & MOs

Info

ID:	246307
PubChem CID:	103059121
Reduced:	BrClON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	299.293663
ΔH_f, kcal/mol:	25.57
Dipole, Da:	2.88
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-(2-methylpropyl)-N'-[[4-(propylamino)oxan-3-yl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OCC2=CN=C(C=N2)N)Cl

DOS

IR

Vibrations