Geometry & MOs

Info

ID:	417773
PubChem CID:	135102684
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	3.13
IP(EA), eV:	-9.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations