Geometry & MOs

Info

ID:	128332
PubChem CID:	51039959
Reduced:	FN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	6.07
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=C1OC)CN3C=C(C(=O)NC3=O)F)OC

DOS

IR

Vibrations