Geometry & MOs

Info

ID:	27469
PubChem CID:	821502
Reduced:	O4N5C14H15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	251.080242
ΔH_f, kcal/mol:	15.33
Dipole, Da:	6.13
IP(EA), eV:	-9.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-2-(5-methylthiophen-2-yl)-N-propan-2-ylcyclobut-2-en-1-imine

Drug info:

PubChemData

Smile

C1COCCN1C(=NOC(=O)C2=CC=CC=C2)C3=NON=C3N

DOS

IR

Vibrations