Geometry & MOs

Info

ID:	152281
PubChem CID:	56311178
Reduced:	F2O2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	5.34
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C2=NC3=CC=CC=C3N2C(F)F)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations