Geometry & MOs

Info

ID:	286985
PubChem CID:	104231664
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-28.0
Dipole, Da:	4.14
IP(EA), eV:	-9.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=CN=C2)O

DOS

IR

Vibrations