Geometry & MOs

Info

ID:	291318
PubChem CID:	111978619
Reduced:	BrFIN5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	327.07464
ΔH_f, kcal/mol:	64.64
Dipole, Da:	3.26
IP(EA), eV:	-9.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-3-ethylguanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)NCC2=CC=CC=C2CN3C=CC=N3.I

DOS

IR

Vibrations