Geometry & MOs

Info

ID:	431770
PubChem CID:	135171876
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	506.09628
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	3.77
IP(EA), eV:	-7.59(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-(4-methoxycyclohexyl)-1-N-(2-methylpropyl)-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CC1C2=CC(=C(C=C2)N(CC(C)C)C3CCCCC3)N

DOS

IR

Vibrations