Geometry & MOs

Info

ID:	83177
PubChem CID:	49857247
Reduced:	N2F3O4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	342.119127
ΔH_f, kcal/mol:	-304.49
Dipole, Da:	1.65
IP(EA), eV:	-9.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(2S)-1-methylidene-5-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-naphthalen-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)N[C@H]1CCC2=C(C1=O)C=CC=C2NC(=O)C(F)(F)F

DOS

IR

Vibrations