Geometry & MOs

Info

ID:	81233
PubChem CID:	49854490
Reduced:	N4O4C35H44 (1)
Stoich.:	A4B4C35D44 (1)
Weight, g/mol:	612.367556
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	4.86
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations