Geometry & MOs

Info

ID:	351195
PubChem CID:	127279753
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	4.35
IP(EA), eV:	-8.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)CC3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations