Geometry & MOs

Info

ID:	286978
PubChem CID:	104231657
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-21.49
Dipole, Da:	4.69
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-methoxy-6-pyrazol-1-ylphenyl)ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C=CC=N2)O

DOS

IR

Vibrations