Geometry & MOs

Info

ID:	343063
PubChem CID:	127266236
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	6.89
IP(EA), eV:	-9.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(4-methylphenyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NC2(CCOCC2)C3=NC(=NO3)C(C)C

DOS

IR

Vibrations