Geometry & MOs

Info

ID:	195776
PubChem CID:	78732368
Reduced:	FO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	341.142722
ΔH_f, kcal/mol:	-59.56
Dipole, Da:	7.16
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)NC(=O)N

DOS

IR

Vibrations