Geometry & MOs

Info

ID:	329797
PubChem CID:	127246664
Reduced:	OF2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-155.64
Dipole, Da:	8.93
IP(EA), eV:	-9.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3CCC(CC3)(F)F)C

DOS

IR

Vibrations