Geometry & MOs

Info

ID:	291334
PubChem CID:	111978665
Reduced:	BrFION3C13H20 (1)
Stoich.:	ABCDE3F13G20 (1)
Weight, g/mol:	438.08668
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	1.51
IP(EA), eV:	-9.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N'-[(4-bromophenyl)methyl]-N-[(2,5-difluorophenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCOCCNC(=NC)NCC1=C(C=C(C=C1)Br)F.I

DOS

IR

Vibrations