Geometry & MOs

Info

ID:	183920
PubChem CID:	77089411
Reduced:	FON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	5.26
IP(EA), eV:	-8.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=C(C=C2)F)C)C(=O)N3CCCC(C3)C4=NC=CN4C

DOS

IR

Vibrations