Geometry & MOs

Info

ID:	309664
PubChem CID:	126553104
Reduced:	O3C15H17 (2)
Stoich.:	A3B15C17 (2)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-212.01
Dipole, Da:	3.5
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2C[C@H]([C@@H]([C@H](O2)CO)O)O)CC3=CC=C(C=C3)OCC4(C5=CC=CC=C5CO4)C

DOS

IR

Vibrations