Geometry & MOs

Info

ID:	197979
PubChem CID:	79025780
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	337.07897
ΔH_f, kcal/mol:	3.54
Dipole, Da:	1.78
IP(EA), eV:	-8.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)COC2=CC=CC=C2[C@@H](C)N

DOS

IR

Vibrations