Geometry & MOs

Info

ID:	263668
PubChem CID:	103388076
Reduced:	ClON5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	292.251464
ΔH_f, kcal/mol:	20.98
Dipole, Da:	2.91
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentane-1,4-diamine

Drug info:

PubChemData

Smile

COCC(CCCN)NC1=C(C=CC(=C1)Cl)N2C=NC=N2

DOS

IR

Vibrations