Geometry & MOs

Info

ID:	205747
PubChem CID:	80150086
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	7.05
IP(EA), eV:	-9.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC2=NC=C(C=C2)C(=O)O

DOS

IR

Vibrations