Geometry & MOs

Info

ID:	291183
PubChem CID:	111765155
Reduced:	F4N4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	411.244582
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	5.7
IP(EA), eV:	-9.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN=C(NCCC1=CC=C(C=C1)C(F)(F)F)NCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations