Geometry & MOs

Info

ID:	267373
PubChem CID:	103582030
Reduced:	BrO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	0.72
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2=NNC(=O)CC2

DOS

IR

Vibrations