Geometry & MOs

Info

ID:	44448
PubChem CID:	10503613
Reduced:	O2N3C27H49 (1)
Stoich.:	A2B3C27D49 (1)
Weight, g/mol:	448.18383
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	2.92
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (9Z,12Z)-17-iodoheptadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=N1)CO)N(C)C

DOS

IR

Vibrations