Geometry & MOs

Info

ID:	431776
PubChem CID:	135171882
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	508.234449
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	5.64
IP(EA), eV:	-8.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclohexyl-1-N-(2-methylpropyl)-4-[(2R)-1-(2H-tetrazol-5-yl)propan-2-yl]-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations