Geometry & MOs

Info

ID:	269088
PubChem CID:	103611949
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	2.11
IP(EA), eV:	-9.5(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-N-methyl-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCNC(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations