Geometry & MOs

Info

ID:	329707
PubChem CID:	127246574
Reduced:	OF2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-144.33
Dipole, Da:	8.55
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3CCC(CC3)(F)F

DOS

IR

Vibrations