Geometry & MOs

Info

ID:	381760
PubChem CID:	134972588
Reduced:	OC7H11 (1)
Stoich.:	AB7C11 (1)
Weight, g/mol:	381.090053
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754854
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-5,11,13,15-tetraene

Drug info:

PubChemData

Smile

CC(C)([CH2+])C(=O)C=C

DOS

IR

Vibrations