Geometry & MOs

Info

ID:	414827
PubChem CID:	135087798
Reduced:	N3O3C13H15 (2)
Stoich.:	A3B3C13D15 (2)
Weight, g/mol:	351.139448
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	12.22
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)CN5C=NN=N5)OC

DOS

IR

Vibrations