Geometry & MOs

Info

ID:	416658
PubChem CID:	135089965
Reduced:	FON4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	1.26
IP(EA), eV:	-8.47(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=C(C=C(C=C2)F)OC

DOS

IR

Vibrations