Geometry & MOs

Info

ID:	403881
PubChem CID:	135062361
Reduced:	BPO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	396.32396
ΔH_f, kcal/mol:	82.38
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755162
Charge, e:	0

Chem-info

IUPAC name:

diethyl (Z)-icos-10-enedioate

Drug info:

PubChemData

Smile

[B][P+](C/C=C/C(=O)OC)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations