Geometry & MOs

Info

ID:	320868
PubChem CID:	126663964
Reduced:	ClNO4C26H26 (1)
Stoich.:	ABC4D26E26 (1)
Weight, g/mol:	116.131349
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	1.4
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-N'-butylethane-1,1-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1C(=O)OC2=CC=CC=C2)OCC3=CC=CC=C3)CN(C)C(C)C=O)Cl

DOS

IR

Vibrations