Geometry & MOs

Info

ID:	130481
PubChem CID:	51090940
Reduced:	OF3N3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	344.207548
ΔH_f, kcal/mol:	-180.22
Dipole, Da:	8.0
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)CC2=CNC3=CC=CC=C32)CC(F)(F)F

DOS

IR

Vibrations