Geometry & MOs

Info

ID:	248116
PubChem CID:	103079028
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	0.06
Dipole, Da:	6.97
IP(EA), eV:	-8.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=NN(C=C2N)C

DOS

IR

Vibrations