Geometry & MOs

Info

ID:	436571
PubChem CID:	135205547
Reduced:	ClF2O3N7H28C29 (1)
Stoich.:	AB2C3D7E28F29 (1)
Weight, g/mol:	338.293328
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	6.52
IP(EA), eV:	-8.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecan-1-amine;pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1=CC2=CN(N=C2C=C1)C)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)C(F)F)OC

DOS

IR

Vibrations