Geometry & MOs

Info

ID:	162007
PubChem CID:	57393303
Reduced:	ClOF2N5H18C22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	504.133063
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	3.88
IP(EA), eV:	-8.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-thiophen-2-ylethynyl)furan-2-yl]methanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)N(CC2=CC(=O)NC3=C2C=CC(=C3F)F)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations