Geometry & MOs

Info

ID:	299717
PubChem CID:	117688818
Reduced:	F2O2N6C21H26 (1)
Stoich.:	A2B2C6D21E26 (1)
Weight, g/mol:	358.135365
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	3.68
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclopropyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

COCCN1C[C@@H]2C[C@H]1CN2C3=NC(=NC(=C3)C4=CC(=C(N=C4)N)OC(F)F)C5CC5

DOS

IR

Vibrations