Geometry & MOs

Info

ID:	43504
PubChem CID:	10321398
Reduced:	FO2N3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	447.243439
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	3.64
IP(EA), eV:	-8.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanyl)-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(CCO)C(=O)NCC3=CC=C(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations