Geometry & MOs

Info

ID:	406289
PubChem CID:	135077127
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	376.16131
ΔH_f, kcal/mol:	16.87
Dipole, Da:	5.22
IP(EA), eV:	-9.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 16-bromo-5-methyl-3-oxohexadecanoate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CCC(=C)C1=CC=CC=C1)/C#N)CCCCC=O

DOS

IR

Vibrations