Geometry & MOs

Info

ID:	370738
PubChem CID:	127340090
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	3.28
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-cyclopropyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations