Geometry & MOs

Info

ID:	387973
PubChem CID:	134987585
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	215.08071
ΔH_f, kcal/mol:	-199.2
Dipole, Da:	4.37
IP(EA), eV:	-10.08(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-3-methoxy-3-(4-methyltriazol-2-yl)prop-2-enylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCOCCOC=O

DOS

IR

Vibrations