Geometry & MOs

Info

ID:	294526
PubChem CID:	117467377
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	3.06
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-methoxy-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NOC(=N2)CN)OC3CCCC3

DOS

IR

Vibrations