Geometry & MOs

Info

ID:	197977
PubChem CID:	79025144
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	4.54
IP(EA), eV:	-9.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[(4-bromo-2,5-dimethylpyrazol-3-yl)methoxy]-5-chlorophenyl]ethanol

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC(CC)C1=CC(=CC=C1)Cl)N

DOS

IR

Vibrations