Geometry & MOs

Info

ID:	431292
PubChem CID:	135171363
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	463.97041
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	6.98
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,4-dibromo-3-methyl-2H-imidazol-1-yl)-1,3-thiazol-2-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)N2CCC(CC2)OC3=CC4=C(CN(C4=O)C)C=C3

DOS

IR

Vibrations