Geometry & MOs

Info

ID:	415117
PubChem CID:	135088103
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	9.85
Dipole, Da:	2.58
IP(EA), eV:	-8.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=NC(=N1)N3C[C@H]([C@@H](C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations