Geometry & MOs

Info

ID:	287006
PubChem CID:	104231685
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	3.98
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-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@@H](C)O)C

DOS

IR

Vibrations