Geometry & MOs

Info

ID:	370321
PubChem CID:	127338058
Reduced:	ClFON5C19H23 (1)
Stoich.:	ABCD5E19F23 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	-47.8
Dipole, Da:	5.57
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methyl]-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)NC(C)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations