Geometry & MOs

Info

ID:	280806
PubChem CID:	103851363
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	4.09
IP(EA), eV:	-10.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)NC2CCC(=O)NC2=O

DOS

IR

Vibrations