Geometry & MOs

Info

ID:	80421
PubChem CID:	49834379
Reduced:	F3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	466.212867
ΔH_f, kcal/mol:	-287.17
Dipole, Da:	5.38
IP(EA), eV:	-10.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[5-cyano-4-[[2-fluoro-4-(1-methylimidazol-2-yl)phenoxy]methyl]pyrazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CCC1=C(C=C(C=C1)[C@H]2CCC(=O)C2)C(F)(F)F

DOS

IR

Vibrations