Geometry & MOs

Info

ID:	418920
PubChem CID:	135107118
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-208.16
Dipole, Da:	7.2
IP(EA), eV:	-9.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[2-(methylamino)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations