Geometry & MOs

Info

ID:	347657
PubChem CID:	127272523
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-93.7
Dipole, Da:	6.14
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=NC=C4)O)C

DOS

IR

Vibrations