Geometry & MOs

Info

ID:	321880
PubChem CID:	126667163
Reduced:	F2O3N7H21C22 (1)
Stoich.:	A2B3C7D21E22 (1)
Weight, g/mol:	478.19288
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	5.38
IP(EA), eV:	-9.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-benzoxazol-3-yl)-N-[2-(difluoromethoxy)-4-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1COC[C@H]([C@@H]1O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C=CC(=C5)F)F)C#N

DOS

IR

Vibrations