Geometry & MOs

Info

ID:	145283
PubChem CID:	53492715
Reduced:	F2O2N4H14C21 (1)
Stoich.:	A2B2C4D14E21 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	7.86
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-2'-amino-3',7a-dimethyl-4-pyrimidin-5-ylspiro[1a,7-dihydro-1H-cyclopropa[b]naphthalene-2,5'-imidazole]-4'-one

Drug info:

PubChemData

Smile

CN1C(=O)C2(C3=CC=CC=C3OC4=C2C=C(C(=C4)F)C5=C(N=CC=C5)F)N=C1N

DOS

IR

Vibrations