Geometry & MOs

Info

ID:	153178
PubChem CID:	56312330
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	5.23
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations