Geometry & MOs

Info

ID:	179382
PubChem CID:	76474474
Reduced:	N3O6C23H31 (1)
Stoich.:	A3B6C23D31 (1)
Weight, g/mol:	384.117427
ΔH_f, kcal/mol:	-195.75
Dipole, Da:	7.35
IP(EA), eV:	-8.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxy-[[4-oxo-7-(trifluoromethyl)-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

CC1CCC2C3(C1)CC=NC=C4C3=C(O2)CC(C4)N(C(=O)O)C5(CCN(C5=O)OC)OC

DOS

IR

Vibrations