Geometry & MOs

Info

ID:	218092
PubChem CID:	85088858
Reduced:	O13C16H28 (1)
Stoich.:	A13B16C28 (1)
Weight, g/mol:	428.118378
ΔH_f, kcal/mol:	-578.87
Dipole, Da:	5.27
IP(EA), eV:	-10.44(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCCOC2C(C(C(C(O2)CO)O)OCC(=O)O)O)O)O)O

DOS

IR

Vibrations