Geometry & MOs

Info

ID:	269500
PubChem CID:	103617753
Reduced:	O2N5H11C12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	303.031377
ΔH_f, kcal/mol:	36.53
Dipole, Da:	2.79
IP(EA), eV:	-9.5(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyanomethoxy)phenyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC#N)NC(=O)CN2C=NC=N2

DOS

IR

Vibrations