Geometry & MOs

Info

ID:	252201
PubChem CID:	103109771
Reduced:	BrN3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	24.77
Dipole, Da:	2.48
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-1-N-methyl-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C)CC(C)NCC1=NC=C(C=C1)Br

DOS

IR

Vibrations