Geometry & MOs

Info

ID:	399247
PubChem CID:	135039126
Reduced:	ClNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	4.73
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-2,2,3-trimethylcyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCCS[C@H]([C@@H](C1=CC=CC=C1Cl)OC(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations