Geometry & MOs

Info

ID:	218486
PubChem CID:	85089523
Reduced:	ClO2N5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	364.154028
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	6.12
IP(EA), eV:	-8.16(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(7-chloro-1,2,3,3a,5,5a,6,7,8,9,9a,10-dodecahydro-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-4-ylidene)-N-(4-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NC(=CC(=O)NC3=CC=C(C=C3)O)C4N2CNN4

DOS

IR

Vibrations