Geometry & MOs

Info

ID:	121733
PubChem CID:	50779327
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	440.199047
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	2.23
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations