Geometry & MOs

Info

ID:	263696
PubChem CID:	103390503
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	2.87
IP(EA), eV:	-8.75(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1R)-1-(2-bromophenyl)ethyl]-5-methoxypentane-1,4-diamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)OC)NC(CCCN)COC

DOS

IR

Vibrations