Geometry & MOs

Info

ID:	145584
PubChem CID:	53548758
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	4.57
IP(EA), eV:	-9.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)C(=O)NC3CCC4=C3C=CC=C4O

DOS

IR

Vibrations