Geometry & MOs

Info

ID:	258233
PubChem CID:	103152128
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	2.88
IP(EA), eV:	-8.14(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CCC(CN)OC

DOS

IR

Vibrations