Geometry & MOs

Info

ID:	414989
PubChem CID:	135087969
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-77.23
Dipole, Da:	1.07
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=C(C=CC=N2)C(=O)N3CCCC3)F

DOS

IR

Vibrations