Geometry & MOs

Info

ID:	395221
PubChem CID:	135024947
Reduced:	NO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	307.251129
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	2.92
IP(EA), eV:	-8.57(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-1-butan-2-yl-4-cyclohexyl-2,5-dihydropyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1[C@@H]2CCCCC2=C[C@@H]1C(=O)OC(C)(C)C

DOS

IR

Vibrations