Geometry & MOs

Info

ID:	441428
PubChem CID:	135234644
Reduced:	N3C19H25 (1)
Stoich.:	A3B19C25 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	51.24
Dipole, Da:	1.77
IP(EA), eV:	-8.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-hydroxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=C(C(=C1)C)N=C(C)C2=CC=CC(=N2)C(=NC)C)C

DOS

IR

Vibrations