Geometry & MOs

Info

ID:	172795
PubChem CID:	75553534
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	445.224453
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	7.5
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-7-methyl-2-(piperidine-1-carbonyl)-1,2,3,3a,5a,6,7,8,9,9a-decahydro-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

C=CC[N+]1=C2C=CC=CC2=[N+](C(=O)C1=O)CCC(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations