Geometry & MOs

Info

ID:	284035
PubChem CID:	104029076
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	5.37
IP(EA), eV:	-9.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-ethylcyclohexyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)N(CCO)C(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations