Geometry & MOs

Info

ID:	163467
PubChem CID:	57995742
Reduced:	P2O3C46H62 (1)
Stoich.:	A2B3C46D62 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	-179.13
Dipole, Da:	4.19
IP(EA), eV:	-8.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-ethyl-4-[(1-methylpyridin-1-ium-4-yl)methyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CCC(CC(C1=CC=CC=C1)PCC2=CC=CC=C2)OP3OC4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C5=C(O3)C(=CC(=C5)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations