Geometry & MOs

Info

ID:	369787
PubChem CID:	127335275
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	385.172559
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	7.04
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations