Geometry & MOs

Info

ID:	438518
PubChem CID:	135228260
Reduced:	O2F3N6H15C18 (1)
Stoich.:	A2B3C6D15E18 (1)
Weight, g/mol:	243.169525
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	5.15
IP(EA), eV:	-9.73(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxopropan-2-yl)-6-(diaminomethylideneamino)hexanamide

Drug info:

PubChemData

Smile

COCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)C(F)(F)F)C5=NCCO5

DOS

IR

Vibrations