Geometry & MOs

Info

ID:	258281
PubChem CID:	103152527
Reduced:	OSN3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	229.215413
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	0.88
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-amine

Drug info:

PubChemData

Smile

COC(CCNCCC1=NC=CS1)CN

DOS

IR

Vibrations