Geometry & MOs

Info

ID:	299692
PubChem CID:	117688636
Reduced:	O2N7C23H25 (1)
Stoich.:	A2B7C23D25 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	38.33
Dipole, Da:	1.02
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1OC2=CC=CC=C2)C3=NC(=CC(=N3)N4C[C@@H]5C[C@H]4CO5)C6=CN=C(N=C6)N

DOS

IR

Vibrations