Geometry & MOs

Info

ID:	258533
PubChem CID:	103154762
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	7.38
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC2=C(C=C1)OC(=O)N2)CN

DOS

IR

Vibrations