Geometry & MOs

Info

ID:	416514
PubChem CID:	135089532
Reduced:	ClO2N5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	319.13322
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	3.06
IP(EA), eV:	-8.95(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCCN(CC2)C(=O)C3=CC(=CN3C)Cl

DOS

IR

Vibrations