Geometry & MOs

Info

ID:	75517
PubChem CID:	48423588
Reduced:	N2F3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-214.9
Dipole, Da:	10.76
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[3-(N-methylanilino)-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OCC(F)(F)F)C#N)OCC2CC2

DOS

IR

Vibrations