Geometry & MOs

Info

ID:	45405
PubChem CID:	10512815
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	10.67
Dipole, Da:	6.1
IP(EA), eV:	-10.23(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-3-methyl-2-phenylfuran

Drug info:

PubChemData

Smile

CC1(C2=C(C=NC(=C2)C#N)C(=O)C1(C)C)C

DOS

IR

Vibrations