Geometry & MOs

Info

ID:	251998
PubChem CID:	103108382
Reduced:	FN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	3.74
IP(EA), eV:	-9.47(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]acetate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations