Geometry & MOs

Info

ID:	436794
PubChem CID:	135211579
Reduced:	NO2C23H37 (2)
Stoich.:	AB2C23D37 (2)
Weight, g/mol:	321.148214
ΔH_f, kcal/mol:	-209.36
Dipole, Da:	3.43
IP(EA), eV:	-8.03(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6E)-6-butan-2-ylidene-4-chloro-2-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyridine-1,2-diamine

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)CN1C(C2=C(N(C(=O)C2=C1C3=CC=CO3)CC(CCCCCC)CCCCCCCC)C4=CC=CO4)O

DOS

IR

Vibrations