Geometry & MOs

Info

ID:	297439
PubChem CID:	117617573
Reduced:	NCl2O5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	-212.44
Dipole, Da:	6.02
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-piperidin-1-ylpyrrolidin-1-yl)-6-propan-2-ylpyridazine

Drug info:

PubChemData

Smile

CCC1(CCC2(CC1)C(=C(C(=O)N2)C3=C(C=C(C=C3C)Cl)Cl)OC(=O)OC)OC

DOS

IR

Vibrations