Geometry & MOs

Info

ID:	89642
PubChem CID:	49963253
Reduced:	ClOSH11C12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	2.25
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethylpyrazol-3-yl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations