Geometry & MOs

Info

ID:	136409
PubChem CID:	52035263
Reduced:	O2N5C23H37 (1)
Stoich.:	A2B5C23D37 (1)
Weight, g/mol:	526.363139
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	7.28
IP(EA), eV:	-9.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-5-[3-[4-(3-methoxycyclohexyl)piperazin-1-yl]-3-oxopropyl]-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CCCC1=NN=C2N1C3CCCCC3N(C2=O)CCC(=O)NCC4CCC(CC4)C

DOS

IR

Vibrations