Geometry & MOs

Info

ID:	394602
PubChem CID:	135023276
Reduced:	NO3C18H33 (1)
Stoich.:	AB3C18D33 (1)
Weight, g/mol:	421.14778
ΔH_f, kcal/mol:	-188.64
Dipole, Da:	1.68
IP(EA), eV:	-9.26(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(5S)-5-ethyl-5-(3-iodopropyl)cyclopenten-1-yl]propyl]carbamate

Drug info:

PubChemData

Smile

CC[C@]1(CCC=C1CCCNC(=O)OC(C)(C)C)CCCO

DOS

IR

Vibrations