Geometry & MOs

Info

ID:	21998
PubChem CID:	594704
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	1.6
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations