Geometry & MOs

Info

ID:	181557
PubChem CID:	76760613
Reduced:	ON6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	548.277886
ΔH_f, kcal/mol:	16.86
Dipole, Da:	5.62
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[[[2-[(2-chlorophenyl)methylamino]-5-cyanopyrimidin-4-yl]amino]methyl]-2-adamantyl]amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC(C2)(CC1C3N)CNC4=NC(=NC=C4C#N)NCC5=CC=CC=C5CO

DOS

IR

Vibrations