Geometry & MOs

Info

ID:	291311
PubChem CID:	111978579
Reduced:	BrFIN5C18H24 (1)
Stoich.:	ABCD5E18F24 (1)
Weight, g/mol:	407.11209
ΔH_f, kcal/mol:	27.0
Dipole, Da:	10.78
IP(EA), eV:	-7.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2-fluorophenyl)methyl]-N'-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)N2CCC(C2)CC3=CN(N=C3)C.I

DOS

IR

Vibrations