Geometry & MOs

Info

ID:	357611
PubChem CID:	127294284
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	5.22
IP(EA), eV:	-8.69(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCN(CC2)CC3CCCCN3C)C

DOS

IR

Vibrations