Geometry & MOs

Info

ID:	89780
PubChem CID:	49964468
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	5.23
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-(2-ethyl-6-methylphenyl)spiro[adamantane-2,5'-imidazole]-4'-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC2=C(N=C3N2C(=CC(=N3)C)C)C4=CC=C(C=C4)O

DOS

IR

Vibrations