Geometry & MOs

Info

ID:	30522
PubChem CID:	841446
Reduced:	O4N5C14H15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	244.067034
ΔH_f, kcal/mol:	8.85
Dipole, Da:	3.15
IP(EA), eV:	-8.69(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations