Geometry & MOs

Info

ID:	186510
PubChem CID:	77440023
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	467.222035
ΔH_f, kcal/mol:	30.46
Dipole, Da:	7.21
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-N-(C-ethyl-N-prop-1-enylcarbonimidoyl)-2,2-dimethyl-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCC1C(C)C)C2=NC=C(C=C2)C#N

DOS

IR

Vibrations