Geometry & MOs

Info

ID:	385702
PubChem CID:	134979778
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	326.24571
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	2.65
IP(EA), eV:	-9.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate

Drug info:

PubChemData

Smile

CC1C2=CCCC[C@@H]2[C@@]13C(=O)OC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations