Geometry & MOs

Info

ID:	83176
PubChem CID:	49857245
Reduced:	FON5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	344.098391
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	3.7
IP(EA), eV:	-8.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(N=C3N2CCN(C3)C(=O)C(C)(C)N)C4=CC=C(C=C4)F

DOS

IR

Vibrations