Geometry & MOs

Info

ID:	182544
PubChem CID:	76903621
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-95.2
Dipole, Da:	3.53
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxybutanimidamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCCC2CO

DOS

IR

Vibrations