Geometry & MOs

Info

ID:	150179
PubChem CID:	53789866
Reduced:	F2O4N6H28C35 (1)
Stoich.:	A2B4C6D28E35 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	11.7
IP(EA), eV:	-8.7(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-methyl-C-[2-[methyl-[3-(pyrrolidin-2-ylmethyl)furan-2-yl]amino]ethyl]carbonimidoyl]propanedinitrile

Drug info:

PubChemData

Smile

CN1CC=NC1C2=C(C=CC(=C2)C3=CC=CC=C3C4=CC=CC=C4C(=O)N)OC5=C(C(=NC=C5F)OC6=CC(=C(N)N)C=CC6=O)F

DOS

IR

Vibrations