Geometry & MOs

Info

ID:	286997
PubChem CID:	104231676
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-27.85
Dipole, Da:	2.18
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloropyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=C(C(=CC=C2)OC)[C@H](C)O

DOS

IR

Vibrations