Geometry & MOs

Info

ID:	287057
PubChem CID:	104231736
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	5.83
IP(EA), eV:	-9.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(1-hydroxyethyl)-3-methoxyphenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=C(C(=CC=C2)OC)[C@H](C)O

DOS

IR

Vibrations