Geometry & MOs

Info

ID:	50032
PubChem CID:	11538915
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	415.238353
ΔH_f, kcal/mol:	7.17
Dipole, Da:	4.86
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[[6-(2-fluoroanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NO)NC(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations