Geometry & MOs

Info

ID:	291220
PubChem CID:	111978188
Reduced:	BrF3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	449.296617
ΔH_f, kcal/mol:	-122.48
Dipole, Da:	5.2
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NC2CCN(CC2)CC(F)F

DOS

IR

Vibrations