Geometry & MOs

Info

ID:	205476
PubChem CID:	80109508
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	4.95
IP(EA), eV:	-9.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-(oxetan-3-yl)propanamide

Drug info:

PubChemData

Smile

C1C(CO1)NC(=O)CNC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations