Geometry & MOs

Info

ID:	299721
PubChem CID:	117688842
Reduced:	F2O2N6C21H26 (1)
Stoich.:	A2B2C6D21E26 (1)
Weight, g/mol:	420.152158
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	2.12
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-(3-fluoro-2,5-dihydropyrrol-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

C1CC1C2=NC(=CC(=N2)N3CCC(C3)N4CCOCC4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations