Geometry & MOs

Info

ID:	69781
PubChem CID:	47205388
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	4.13
IP(EA), eV:	-9.06(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-cyanopropyl)-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CC(=CC(=C1)OC)OC)C#N

DOS

IR

Vibrations