Geometry & MOs

Info

ID:	151981
PubChem CID:	56310816
Reduced:	F3N3O3C22H24 (1)
Stoich.:	A3B3C3D22E24 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-242.51
Dipole, Da:	2.49
IP(EA), eV:	-8.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations