Geometry & MOs

Info

ID:	417100
PubChem CID:	135091369
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	337.099333
ΔH_f, kcal/mol:	-220.55
Dipole, Da:	5.47
IP(EA), eV:	-9.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-fluorophenyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)NCCC(=O)N1CC[C@]([C@@H](C1)O)(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations