Geometry & MOs

Info

ID:	234962
PubChem CID:	92303792
Reduced:	OCl2N2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	426.27949
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	7.19
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethyl-1-[4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@H](C1=CC(=C(C=C1)Cl)Cl)C2=CNC3=C(C=CC=C23)CC

DOS

IR

Vibrations