Geometry & MOs

Info

ID:	126913
PubChem CID:	50984236
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	311.145619
ΔH_f, kcal/mol:	-97.0
Dipole, Da:	2.2
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-(quinolin-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CN1C[C@@H](C[C@H]1C(=O)OC)NC(=O)CSC2=CC=NC=C2

DOS

IR

Vibrations