Geometry & MOs

Info

ID:	298550
PubChem CID:	117651032
Reduced:	PO5C26H44 (1)
Stoich.:	AB5C26D44 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-263.09
Dipole, Da:	19.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.807866
Charge, e:	0

Chem-info

IUPAC name:

dodecan-5-yl 2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCC(C)(COC(C)(C)C)C(=O)OCC1=CC=C(C=C1)C[P+](C)(C)C

DOS

IR

Vibrations