Geometry & MOs

Info

ID:	195717
PubChem CID:	78727190
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	336.148535
ΔH_f, kcal/mol:	-148.84
Dipole, Da:	2.91
IP(EA), eV:	-9.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations