Geometry & MOs

Info

ID:	144602
PubChem CID:	53387983
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-119.68
Dipole, Da:	5.51
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC(=O)C2=CC3=C(C=C2)NC(=O)O3

DOS

IR

Vibrations