Geometry & MOs

Info

ID:	330343
PubChem CID:	127247330
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	3.31
IP(EA), eV:	-9.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCCN3CCCC3=O

DOS

IR

Vibrations