Geometry & MOs

Info

ID:	436243
PubChem CID:	135195693
Reduced:	FN2O4C29H31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	382.169271
ΔH_f, kcal/mol:	-151.29
Dipole, Da:	1.31
IP(EA), eV:	-8.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-5-[(1R,2R)-2-(1H-indazol-5-yloxymethyl)cyclohexyl]benzoate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)F)CC(=O)NCCC5=CC=CC=N5

DOS

IR

Vibrations