Geometry & MOs

Info

ID:	179738
PubChem CID:	76523504
Reduced:	N3O3F4C24H25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-306.3
Dipole, Da:	1.59
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-adamantyl)phenyl]-2-(1,3-dimethyl-2,4-dioxo-4a,7a-dihydropyrrolo[3,2-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1C(CNC2C1NC(=O)C(C2O)C(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F)CC4=CC=CC=C4

DOS

IR

Vibrations