Geometry & MOs

Info

ID:	287005
PubChem CID:	104231684
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-54.3
Dipole, Da:	4.8
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=C(C(=CC=C2)OC)C(C)O)C

DOS

IR

Vibrations