Geometry & MOs

Info

ID:	165019
PubChem CID:	74485826
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	6.23
IP(EA), eV:	-8.71(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-cyclopentyl-3-(4-methyl-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OCC2=NC(=O)C3C=CC=CC3=N2)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations