Geometry & MOs

Info

ID:	141840
PubChem CID:	52936628
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	358.125275
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	2.0
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[2-methoxyethyl(methyl)amino]pyridin-3-yl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations