Geometry & MOs

Info

ID:	420575
PubChem CID:	135114034
Reduced:	ClO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	351.139448
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	4.63
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluoro-4-methoxyphenyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC(=O)NCCC1=CC(=CC=C1)Cl)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations