Geometry & MOs

Info

ID:	291347
PubChem CID:	111978713
Reduced:	BrFIN5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	367.08079
ΔH_f, kcal/mol:	30.38
Dipole, Da:	5.45
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NCC2=CC=NN2C.I

DOS

IR

Vibrations