Geometry & MOs

Info

ID:	445555
PubChem CID:	135268029
Reduced:	F3O3N8C26H27 (1)
Stoich.:	A3B3C8D26E27 (1)
Weight, g/mol:	201.111341
ΔH_f, kcal/mol:	-181.19
Dipole, Da:	7.69
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-amino-4-oxobutyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)NC2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC

DOS

IR

Vibrations