Geometry & MOs

Info

ID:	431569
PubChem CID:	135171657
Reduced:	BrN3O4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-139.64
Dipole, Da:	2.88
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,4,4,5,5-pentamethyloct-6-enamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)Br)NC(=O)NC3CC3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations