Geometry & MOs

Info

ID:	126381
PubChem CID:	50962516
Reduced:	ClON5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	28.81
Dipole, Da:	5.78
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=CC(=C3)Cl)OC2)C4=NC=NC(=C4)N

DOS

IR

Vibrations