Geometry & MOs

Info

ID:	201785
PubChem CID:	79582975
Reduced:	NOCl2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	1.82
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=C(C=CC(=C2)Cl)N)Cl

DOS

IR

Vibrations