Geometry & MOs

Info

ID:	81516
PubChem CID:	49854817
Reduced:	N3O4C32H35 (1)
Stoich.:	A3B4C32D35 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	3.5
IP(EA), eV:	-8.41(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OCN2C3=C(C(=CC=C3)N4CCN(CC4)CC5=CC(=CC=C5)C6=CC=CC=C6)OC2=O

DOS

IR

Vibrations