Geometry & MOs

Info

ID:	267357
PubChem CID:	103581981
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	281.04153
ΔH_f, kcal/mol:	-85.64
Dipole, Da:	3.46
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)NC2CCOC2

DOS

IR

Vibrations