Geometry & MOs

Info

ID:	370213
PubChem CID:	127337746
Reduced:	ON7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	392.203525
ΔH_f, kcal/mol:	73.64
Dipole, Da:	8.54
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-4-ylmethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCN(CC3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations