Geometry & MOs

Info

ID:	416443
PubChem CID:	135089456
Reduced:	SN4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	48.46
Dipole, Da:	2.66
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H](CN1CC2=CN=C(N=C2)SC)C)CC=C

DOS

IR

Vibrations