Geometry & MOs

Info

ID:	126732
PubChem CID:	50975471
Reduced:	N5C23H27 (1)
Stoich.:	A5B23C27 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	77.49
Dipole, Da:	5.83
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NC=C2C3=CC=NC=C3)NCCC4CCCN4C

DOS

IR

Vibrations