Geometry & MOs

Info

ID:	226003
PubChem CID:	87246587
Reduced:	FN5O6H30C31 (1)
Stoich.:	AB5C6D30E31 (1)
Weight, g/mol:	181.213026
ΔH_f, kcal/mol:	-212.19
Dipole, Da:	9.18
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;azanide;1-N-butylpentane-1,4-diamine

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](CCC(=O)O)C(=O)C1=CNC(=C1)C2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NC4=CC=CC(=C4)C)F

DOS

IR

Vibrations