Geometry & MOs

Info

ID:	177667
PubChem CID:	76210914
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	269.185175
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	2.96
IP(EA), eV:	-9.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanimidamide

Drug info:

PubChemData

Smile

C1CC1C(CNC(=O)C=CC2=CC=CC=C2Br)O

DOS

IR

Vibrations