Geometry & MOs

Info

ID:	176709
PubChem CID:	76084968
Reduced:	SN3H5C9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	587.233109
ΔH_f, kcal/mol:	122.46
Dipole, Da:	3.82
IP(EA), eV:	-9.19(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)triazol-4-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)N=N)C#N

DOS

IR

Vibrations