Geometry & MOs

Info

ID:	420571
PubChem CID:	135114015
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	6.61
IP(EA), eV:	-9.15(-0.92)
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]-(4-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CN=C(N=C2)C3CC3

DOS

IR

Vibrations