Geometry & MOs

Info

ID:	83178
PubChem CID:	49857248
Reduced:	N2F3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	358.114042
ΔH_f, kcal/mol:	-261.73
Dipole, Da:	2.27
IP(EA), eV:	-9.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(7S)-6-oxo-1-[(2,2,2-trifluoroacetyl)amino]-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations