Geometry & MOs

Info

ID:	421778
PubChem CID:	135116601
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	34.85
Dipole, Da:	4.98
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NC(=NC=C2)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C)C

DOS

IR

Vibrations