Geometry & MOs

Info

ID:	437360
PubChem CID:	135226169
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	314.06299
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	3.17
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-bromo-3-(methoxymethyl)pyridin-2-yl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CCC(=C)O)O)O

DOS

IR

Vibrations