Geometry & MOs

Info

ID:	370254
PubChem CID:	127337921
Reduced:	FON5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	399.182588
ΔH_f, kcal/mol:	-20.06
Dipole, Da:	4.59
IP(EA), eV:	-8.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC(=CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations