Geometry & MOs

Info

ID:	275780
PubChem CID:	103817676
Reduced:	BrON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	46.97
Dipole, Da:	1.02
IP(EA), eV:	-8.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propan-2-ylpyrazol-4-yl)methyl]quinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)NCC3=C(C=CO3)Br)N=CC=C2

DOS

IR

Vibrations