Geometry & MOs

Info

ID:	327542
PubChem CID:	126690295
Reduced:	ClO2N3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	195.083019
ΔH_f, kcal/mol:	44.46
Dipole, Da:	4.74
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-aminoethyl)-N-(4-ethenylthiophen-3-ylidene)methanimidamide

Drug info:

PubChemData

Smile

CCC(C)C(=C)C(=N/C=N\CNC1CC1)/C(=C\C)/C#CC2=C(C(=CC(=C2)OC)OC)Cl

DOS

IR

Vibrations