Geometry & MOs

Info

ID:	313310
PubChem CID:	126613685
Reduced:	O10C47H72 (1)
Stoich.:	A10B47C72 (1)
Weight, g/mol:	274.236876
ΔH_f, kcal/mol:	-511.35
Dipole, Da:	2.88
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(propylamino)butylamino]propylamino]ethylcarbamic acid

Drug info:

PubChemData

Smile

CCC(CC)(COC(=O)C(C)C1=CC(=C(C(=C1)C)O)C(C)(C)C)C2OCC3(CO2)COC(OC3)C(CC)(CC)COC(=O)C(C)C4=CC(=C(C(=C4)C)O)C(C)(C)C

DOS

IR

Vibrations