Geometry & MOs

Info

ID:	279371
PubChem CID:	103843501
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	314.103335
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	5.82
IP(EA), eV:	-9.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(N(N=C1C)C)C)CO

DOS

IR

Vibrations