Geometry & MOs

Info

ID:	370305
PubChem CID:	127337983
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	2.4
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-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)N(C)CC3CCCCO3

DOS

IR

Vibrations