Geometry & MOs

Info

ID:	369484
PubChem CID:	127334201
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	5.56
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations