Geometry & MOs

Info

ID:	401317
PubChem CID:	135050897
Reduced:	N3S3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	265.110766
ΔH_f, kcal/mol:	112.16
Dipole, Da:	3.63
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methoxy-N-(piperidin-1-ium-1-ylidenemethyl)benzenecarboximidoyl chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(S2)(N=[N+]=[N-])SC

DOS

IR

Vibrations