Geometry & MOs

Info

ID:	397735
PubChem CID:	135030646
Reduced:	OCl2N3H17C25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	119.6
Dipole, Da:	4.63
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1C=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)/C=N/NC4=NC5=C(O4)C(=CC(=C5)Cl)Cl

DOS

IR

Vibrations