Geometry & MOs

Info

ID:	140062
PubChem CID:	52639096
Reduced:	BrN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-131.11
Dipole, Da:	6.0
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 5-nitrothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CCNC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations