Geometry & MOs

Info

ID:	279580
PubChem CID:	103844387
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	11.45
Dipole, Da:	3.37
IP(EA), eV:	-8.89(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC2=CC=CC=C2C(=C1)C#N)CO

DOS

IR

Vibrations