Geometry & MOs

Info

ID:	329796
PubChem CID:	127246663
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	323.180919
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	6.23
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC4=C(CCC4)C=C3)C

DOS

IR

Vibrations