Geometry & MOs

Info

ID:	376895
PubChem CID:	134222927
Reduced:	NO16C44H77 (1)
Stoich.:	AB16C44D77 (1)
Weight, g/mol:	385.261694
ΔH_f, kcal/mol:	-811.13
Dipole, Da:	6.05
IP(EA), eV:	-9.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradecyl (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCC(=O)OCCOCC)(COC(=O)CCC(=O)OCCOCC)OCC(=O)CCC(=O)OCCOCC

DOS

IR

Vibrations