Geometry & MOs

Info

ID:	134378
PubChem CID:	51687873
Reduced:	ClN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-110.3
Dipole, Da:	3.64
IP(EA), eV:	-9.53(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1CO[C@@H](CO1)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations