Geometry & MOs

Info

ID:	287027
PubChem CID:	104231706
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	4.35
IP(EA), eV:	-9.15(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3-cyclopropylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C=CC(=N2)C3CC3)O

DOS

IR

Vibrations