Geometry & MOs

Info

ID:	152991
PubChem CID:	56312097
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-143.35
Dipole, Da:	2.29
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(=O)NC2=C(C=C(C=C2)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations