Geometry & MOs

Info

ID:	440910
PubChem CID:	135232160
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	-18.32
Dipole, Da:	7.29
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)OCC(C4)C5=NCC(N5)C6=CC=NC=C6

DOS

IR

Vibrations