Geometry & MOs

Info

ID:	431402
PubChem CID:	135171477
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	449.95476
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	0.76
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-4-[4-(2,4-dibromo-3-methyl-2H-imidazol-1-yl)-1,3-thiazol-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N(C2=O)C)C)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations