Geometry & MOs

Info

ID:	394601
PubChem CID:	135023275
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	311.246044
ΔH_f, kcal/mol:	-121.72
Dipole, Da:	2.46
IP(EA), eV:	-9.27(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations