Geometry & MOs

Info

ID:	147583
PubChem CID:	53787239
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	12.01
Dipole, Da:	1.85
IP(EA), eV:	-10.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[bis(furan-2-yl)-hydroxymethyl]-5-methylpyridin-2-yl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one

Drug info:

PubChemData

Smile

CCC#CCC1C(CCC1=O)CC#N

DOS

IR

Vibrations