Geometry & MOs

Info

ID:	291219
PubChem CID:	111978179
Reduced:	IOF2N5C23H36 (1)
Stoich.:	ABC2D5E23F36 (1)
Weight, g/mol:	420.11364
ΔH_f, kcal/mol:	-136.76
Dipole, Da:	10.01
IP(EA), eV:	-8.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethylguanidine

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(CC3)CC(F)F.I

DOS

IR

Vibrations