Geometry & MOs

Info

ID:	54217
PubChem CID:	15047423
Reduced:	NO6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	356.117922
ΔH_f, kcal/mol:	-129.42
Dipole, Da:	5.24
IP(EA), eV:	-9.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(adamantane-1-carbonyl)-5-(4-chlorophenyl)-3H-furan-2-one

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])C(=O)C4C=C(OC4=O)C5=CC=CC=C5

DOS

IR

Vibrations