Geometry & MOs

Info

ID:	126622
PubChem CID:	50970362
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	374.13028
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	3.76
IP(EA), eV:	-9.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCC(=O)N2C[C@@H]3CN(C[C@@]3(C2)C(=O)O)C

DOS

IR

Vibrations