Geometry & MOs

Info

ID:	258232
PubChem CID:	103152127
Reduced:	ON2C11H26 (1)
Stoich.:	AB2C11D26 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	3.45
IP(EA), eV:	-8.77(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine

Drug info:

PubChemData

Smile

CCCCN(CC)CCC(CN)OC

DOS

IR

Vibrations