Geometry & MOs

Info

ID:	287024
PubChem CID:	104231703
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	5.49
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-methoxy-6-(3-methylpyrazol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(N(C=N1)C2=C(C(=CC=C2)OC)[C@H](C)O)C

DOS

IR

Vibrations