Geometry & MOs

Info

ID:	424459
PubChem CID:	135122748
Reduced:	SN4O7C29H36 (1)
Stoich.:	AB4C7D29E36 (1)
Weight, g/mol:	354.119127
ΔH_f, kcal/mol:	-183.51
Dipole, Da:	11.9
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dimethyl-6-[N-methyl-4-(trifluoromethoxy)anilino]pyridin-3-yl]oxyacetaldehyde

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C(C)(C)C(=O)O)OCC4=CN(N=N4)C5COC5)C

DOS

IR

Vibrations