Geometry & MOs

Info

ID:	284841
PubChem CID:	104076416
Reduced:	ON3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	59.29
Dipole, Da:	2.38
IP(EA), eV:	-9.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-cyano-2-[(1R)-1-hydroxyethyl]phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C#N)N2C=NC3=CC=CC=C32)O

DOS

IR

Vibrations