Geometry & MOs

Info

ID:	291209
PubChem CID:	111978161
Reduced:	IOF3N5C22H33 (1)
Stoich.:	ABC3D5E22F33 (1)
Weight, g/mol:	439.255895
ΔH_f, kcal/mol:	-181.19
Dipole, Da:	2.48
IP(EA), eV:	-9.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(C3)CC(F)(F)F.I

DOS

IR

Vibrations