Geometry & MOs

Info

ID:	153187
PubChem CID:	56312339
Reduced:	F2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	446.289306
ΔH_f, kcal/mol:	-178.27
Dipole, Da:	2.34
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations