Geometry & MOs

Info

ID:	421712
PubChem CID:	135116469
Reduced:	FN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-162.91
Dipole, Da:	10.19
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations