Geometry & MOs

Info

ID:	291355
PubChem CID:	111978727
Reduced:	BrFIN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	313.05899
ΔH_f, kcal/mol:	4.69
Dipole, Da:	2.7
IP(EA), eV:	-9.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine

Drug info:

PubChemData

Smile

CC1CC1NC(=NC)NCC2=C(C=C(C=C2)Br)F.I

DOS

IR

Vibrations