Geometry & MOs

Info

ID:	395773
PubChem CID:	135026489
Reduced:	N2O2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	463.199488
ΔH_f, kcal/mol:	38.47
Dipole, Da:	2.23
IP(EA), eV:	-8.29(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-2-[4-(3-cyanopropoxy)-3-(4-methoxyphenyl)phenyl]ethenyl]-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

C#CCN1C=C(C2=CC=CC=C21)CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations