Geometry & MOs

Info

ID:	151455
PubChem CID:	53812325
Reduced:	BrOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	580.351237
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	4.26
IP(EA), eV:	-10.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,4-dimethoxyphenyl)-N-[[4-(2,2-dimethylpropyl)phenyl]methyl]-N-heptan-2-yl-2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carboximidamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C(=O)Br

DOS

IR

Vibrations