Geometry & MOs

Info

ID:	152989
PubChem CID:	56312095
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	5.23
IP(EA), eV:	-8.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations