Geometry & MOs

Info

ID:	188755
PubChem CID:	77762338
Reduced:	FN5O5C25H34 (1)
Stoich.:	AB5C5D25E34 (1)
Weight, g/mol:	493.257671
ΔH_f, kcal/mol:	-198.37
Dipole, Da:	2.43
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)CC4CCCC4)F)NC(=O)O

DOS

IR

Vibrations