Geometry & MOs

Info

ID:	218485
PubChem CID:	85089522
Reduced:	ClF3O4N5C19H23 (1)
Stoich.:	AB3C4D5E19F23 (1)
Weight, g/mol:	363.146203
ΔH_f, kcal/mol:	-255.93
Dipole, Da:	11.17
IP(EA), eV:	-7.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)-N-(4-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NC(=CC(=O)NC3=CC=C(C=C3)O)C4[NH+]2CNN4.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations