Geometry & MOs

Info

ID:	288536
PubChem CID:	104318984
Reduced:	NOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	1.64
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl 1-(3-aminophenyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(CCOC(=O)CN1C=C(C=N1)N)O

DOS

IR

Vibrations