Geometry & MOs

Info

ID:	299699
PubChem CID:	117688693
Reduced:	O2F3N6C19H23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	434.204194
ΔH_f, kcal/mol:	-173.76
Dipole, Da:	2.07
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclopropyl-6-[(1S,4S)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCOC1)C2=NC(=NC(=C2)C3=CC(=C(N=C3)N)OC(F)F)N4CC[C@@H](C4)F

DOS

IR

Vibrations