Geometry & MOs

Info

ID:	32301
PubChem CID:	6436414
Reduced:	PO4C36H71 (1)
Stoich.:	AB4C36D71 (1)
Weight, g/mol:	169.037508
ΔH_f, kcal/mol:	-362.31
Dipole, Da:	3.37
IP(EA), eV:	-9.46(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCOP(=O)(OCCCCCCCC/C=C\CCCCCCCC)O

DOS

IR

Vibrations