Geometry & MOs

Info

ID:	325408
PubChem CID:	126683121
Reduced:	F3N5C12H16 (1)
Stoich.:	A3B5C12D16 (1)
Weight, g/mol:	329.18273
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	3.58
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1-(diaminomethylidene)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine

Drug info:

PubChemData

Smile

CN=C(NCCC1=CC=C(C=C1)C(F)(F)F)N=C(N)N

DOS

IR

Vibrations