Geometry & MOs

Info

ID:	186431
PubChem CID:	77432100
Reduced:	F2N7C20H23 (1)
Stoich.:	A2B7C20D23 (1)
Weight, g/mol:	373.171417
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	6.17
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C2=CN=C(N=C2)NCC(C)(CC(C)F)C3=C(C=CC=N3)F)N

DOS

IR

Vibrations