Geometry & MOs

Info

ID:	423181
PubChem CID:	135119057
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	60.56
Dipole, Da:	3.98
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2C[C@@H]3CN(C[C@H]2COC3)C

DOS

IR

Vibrations