Geometry & MOs

Info

ID:	286998
PubChem CID:	104231677
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	2.21
IP(EA), eV:	-9.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C=C(C=N2)Cl)O

DOS

IR

Vibrations