Geometry & MOs

Info

ID:	291274
PubChem CID:	111978377
Reduced:	BrFION3C16H24 (1)
Stoich.:	ABCDE3F16G24 (1)
Weight, g/mol:	424.1274
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	4.99
IP(EA), eV:	-9.35(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N-[(4-bromo-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)N2CCC(C2)COC.I

DOS

IR

Vibrations