Geometry & MOs

Info

ID:	31856
PubChem CID:	3721221
Reduced:	O2N3C11H12 (2)
Stoich.:	A2B3C11D12 (2)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	3.59
IP(EA), eV:	-8.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations