Geometry & MOs

Info

ID:	43861
PubChem CID:	10321897
Reduced:	F4O4H18C25 (1)
Stoich.:	A4B4C18D25 (1)
Weight, g/mol:	458.145342
ΔH_f, kcal/mol:	-256.59
Dipole, Da:	3.18
IP(EA), eV:	-9.66(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8,9-dihydro-7H-benzo[7]annulen-5-ylmethyl)-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(C(=C1F)F)C(=C)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)F)F

DOS

IR

Vibrations