Geometry & MOs

Info

ID:	420615
PubChem CID:	135114358
Reduced:	FN4O5C27H29 (1)
Stoich.:	AB4C5D27E29 (1)
Weight, g/mol:	363.134969
ΔH_f, kcal/mol:	-180.36
Dipole, Da:	9.44
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)C4=CNC=C4

DOS

IR

Vibrations