Geometry & MOs

Info

ID:	200727
PubChem CID:	79431794
Reduced:	FNC16H24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	326.095269
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	3.44
IP(EA), eV:	-8.98(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2,5-diethylpyrazol-3-yl)-2-(4-chlorophenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)C1CCNCC1C2=CC(=CC=C2)F

DOS

IR

Vibrations