Geometry & MOs

Info

ID:	147622
PubChem CID:	53787278
Reduced:	O2N4F6C23H24 (1)
Stoich.:	A2B4C6D23E24 (1)
Weight, g/mol:	502.180345
ΔH_f, kcal/mol:	-285.78
Dipole, Da:	6.96
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-N-carbamimidoylformamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H](N(C1)CN(C=O)C(=N)N)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations