Geometry & MOs

Info

ID:	299704
PubChem CID:	117688737
Reduced:	INOC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	436.183458
ΔH_f, kcal/mol:	16.03
Dipole, Da:	2.2
IP(EA), eV:	-9.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-(4-fluoropiperidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1[C@@H]2C(C2I)CN1C3COC3

DOS

IR

Vibrations