Geometry & MOs

Info

ID:	152753
PubChem CID:	56311815
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	5.21
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations