Geometry & MOs

Info

ID:	288537
PubChem CID:	104318991
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	4.25
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl 4-amino-5-ethyl-2-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(CCOC(=O)C1=NN(C=C1)C2=CC=CC(=C2)N)O

DOS

IR

Vibrations