Geometry & MOs

Info

ID:	435596
PubChem CID:	135191893
Reduced:	ON3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	43.83
Dipole, Da:	5.29
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-cyclohexa-1,3-dien-1-yl-4-methoxy-N,2-dimethylpent-3-enamide

Drug info:

PubChemData

Smile

CN1C(=O)CCOC2=C1C=C(C=C2)C(=NCCC#N)N=NN

DOS

IR

Vibrations