Geometry & MOs

Info

ID:	370747
PubChem CID:	127340106
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	4.84
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CC2(CCC1C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5O4)C(=O)NC(=O)N2

DOS

IR

Vibrations