Geometry & MOs

Info

ID:	26237
PubChem CID:	641589
Reduced:	S5N6O6H30C31 (1)
Stoich.:	A5B6C6D30E31 (1)
Weight, g/mol:	98.10955
ΔH_f, kcal/mol:	-124.67
Dipole, Da:	4.73
IP(EA), eV:	-8.3(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1,2-dimethylcyclopentane

Drug info:

PubChemData

Smile

CN1C(=O)[C@]2(N(C(=O)[C@@]1(SS2)CC3=CN(C4=CC=CC=C43)[C@]56C[C@]78C(=O)N([C@](C(=O)N7[C@H]5NC9=CC=CC=C69)(SSS8)CO)C)C)CO

DOS

IR

Vibrations