Geometry & MOs

Info

ID:	325824
PubChem CID:	126685161
Reduced:	ClSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-139.25
Dipole, Da:	7.0
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=C)[C@H]1[C@@H](C[C@H](C1CCCC2=CC=C(S2)C(=O)O)Cl)O

DOS

IR

Vibrations