Geometry & MOs

Info

ID:	330191
PubChem CID:	127247178
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	5.65
IP(EA), eV:	-9.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CCC3=NC(=NO3)C(C)C

DOS

IR

Vibrations