Geometry & MOs

Info

ID:	288535
PubChem CID:	104318967
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	213.111341
ΔH_f, kcal/mol:	-136.51
Dipole, Da:	2.05
IP(EA), eV:	-8.5(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl 2-(4-aminopyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC(CCOC(=O)CC1=CC=CC=C1N)O

DOS

IR

Vibrations