Geometry & MOs

Info

ID:	299685
PubChem CID:	117688544
Reduced:	N3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	333.140117
ΔH_f, kcal/mol:	107.35
Dipole, Da:	1.2
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(azetidin-1-yl)-2-cyclopropylpyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CC3CC2C3)C4=CN=C(N=C4)N

DOS

IR

Vibrations