Geometry & MOs

Info

ID:	252241
PubChem CID:	103110001
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-10.12
Dipole, Da:	4.05
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations