Geometry & MOs

Info

ID:	263143
PubChem CID:	103341864
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	41.78
Dipole, Da:	3.17
IP(EA), eV:	-8.35(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-N-methyl-4-pyrrol-2-ylidene-1,2,5-thiadiazol-3-amine

Drug info:

PubChemData

Smile

CCCNC1=CC=CC(=N1)C2=CC=CN2

DOS

IR

Vibrations