Geometry & MOs

Info

ID:	126449
PubChem CID:	50965360
Reduced:	FSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	2.49
IP(EA), eV:	-8.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-quinolin-5-ylmethanamine

Drug info:

PubChemData

Smile

CCSCCN1C2=C(N=CC(=C2)C(=O)O)N(C1=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations