Geometry & MOs

Info

ID:	263709
PubChem CID:	103391505
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	4.25
IP(EA), eV:	-9.25(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2-bromophenyl)methyl]-5-methoxy-4-N-methylpentane-1,4-diamine

Drug info:

PubChemData

Smile

COCC(CCCN)(CC1=COC=C1)O

DOS

IR

Vibrations