Geometry & MOs

Info

ID:	258601
PubChem CID:	103155552
Reduced:	F2N2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-223.54
Dipole, Da:	4.57
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[3-(N-ethylanilino)propyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NCCC1=CC=C(C=C1)OC(F)F)CN

DOS

IR

Vibrations