Geometry & MOs

Info

ID:	291316
PubChem CID:	111978615
Reduced:	BrFIN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	33.67
Dipole, Da:	4.21
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-ethyl-3-prop-2-ynylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NCC#C.I

DOS

IR

Vibrations