Geometry & MOs

Info

ID:	401896
PubChem CID:	135053264
Reduced:	NCl2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	220.10342
ΔH_f, kcal/mol:	33.8
Dipole, Da:	15.81
IP(EA), eV:	-9.59(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(E)-(2-thiophen-2-ylcyclopenten-1-yl)methylideneamino]methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\C=[N+](C)C)/Cl.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations