Geometry & MOs

Info

ID:	151860
PubChem CID:	56310678
Reduced:	F3N4O4C18H23 (1)
Stoich.:	A3B4C4D18E23 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-315.84
Dipole, Da:	2.26
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(=O)NCC(F)(F)F)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations