Geometry & MOs

Info

ID:	209681
PubChem CID:	80702712
Reduced:	BrClON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	26.59
Dipole, Da:	3.5
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8-methoxyquinolin-2-yl)methyl]-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC2=NC(=NC=C2)Cl)Br

DOS

IR

Vibrations