Geometry & MOs

Info

ID:	287003
PubChem CID:	104231682
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	4.81
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-methoxy-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=C(C(=CC=C2)OC)[C@@H](C)O)C

DOS

IR

Vibrations