Geometry & MOs

Info

ID:	150211
PubChem CID:	53789898
Reduced:	OC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	527.300873
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	3.82
IP(EA), eV:	-10.01(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetylcyclooctyl)-4-butyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CC1C=CC(=O)C1CC=C

DOS

IR

Vibrations