Geometry & MOs

Info

ID:	415901
PubChem CID:	135088903
Reduced:	FO2N4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	4.18
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN(C)C(=O)CN(C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations