Geometry & MOs

Info

ID:	405060
PubChem CID:	135072376
Reduced:	BrO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	411.219829
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	7.89
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[3,3-bis(4-methylphenyl)prop-2-enyl]-3-oxobutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1C=O)Br)OC)OCC2=CC=CC=C2

DOS

IR

Vibrations