Geometry & MOs

Info

ID:	361349
PubChem CID:	127302658
Reduced:	FON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	340.169939
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	3.95
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC=NC(=C2)N3CCC(CC3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations