Geometry & MOs

Info

ID:	361520
PubChem CID:	127303710
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	301.165108
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	5.38
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(pyridazin-3-ylamino)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NN=CC=C2)C(=O)CN3C(=O)CCC4=CC=CC=C43

DOS

IR

Vibrations