Geometry & MOs

Info

ID:	442082
PubChem CID:	135249426
Reduced:	FON3C12H12 (2)
Stoich.:	ABC3D12E12 (2)
Weight, g/mol:	288.204907
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	3.98
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-3-oxopentanamide

Drug info:

PubChemData

Smile

CNC(=O)N1CCC(CC1)OC2=CC=CC3=NC=C(N32)C4=CC=C(C=C4)C5=CN(N=C5)C(F)F

DOS

IR

Vibrations