Geometry & MOs

Info

ID:	287066
PubChem CID:	104231745
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	3.16
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-diethylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=NC3=C2CCCC3)O

DOS

IR

Vibrations