Geometry & MOs

Info

ID:	226641
PubChem CID:	87550951
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	295.202479
ΔH_f, kcal/mol:	-121.79
Dipole, Da:	1.74
IP(EA), eV:	-9.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[amino(1-aminohexoxy)phosphoryl]oxyhexan-1-amine

Drug info:

PubChemData

Smile

CC1(CN(CCC1(C2=CC=C(C=C2)Cl)O)[C@H](C=O)C3(CCOCC3)N)C

DOS

IR

Vibrations