Geometry & MOs

Info

ID:	147621
PubChem CID:	53787277
Reduced:	OCl2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	502.180345
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	3.46
IP(EA), eV:	-8.66(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)CC2=CC=CC=C2Cl)O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations