Geometry & MOs

Info

ID:	211709
PubChem CID:	81050070
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	4.45
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CCN1C=CN=C(C1=O)N2CCCC(C2)C(C)CC(=O)O

DOS

IR

Vibrations