Geometry & MOs

Info

ID:	146292
PubChem CID:	53664965
Reduced:	BrClO3N4H24C25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	5.99
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(hexylamino)hexyl]formamide

Drug info:

PubChemData

Smile

CCC(C)C1=NC(=C(N1CC2=CC3=C(N(N=C3C=C2)C4=CC=CC=C4C(=O)OCC)Br)C=O)Cl

DOS

IR

Vibrations