Geometry & MOs

Info

ID:	81136
PubChem CID:	49854390
Reduced:	N3O4C33H39 (1)
Stoich.:	A3B4C33D39 (1)
Weight, g/mol:	599.335922
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	5.94
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonyl 1-[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]ethyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OCN1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations