Geometry & MOs

Info

ID:	416759
PubChem CID:	135090303
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	2.45
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=NOC(=C2C(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations