Geometry & MOs

Info

ID:	132614
PubChem CID:	51386603
Reduced:	O2N5C25H45 (1)
Stoich.:	A2B5C25D45 (1)
Weight, g/mol:	448.365151
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	7.07
IP(EA), eV:	-9.25(0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-7-butyl-N-[(1R)-1-cyclohexylethyl]-11-methyl-2-oxo-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(CC2C1NC3C(CCCN3C2=O)C)C(=O)N[C@@H](C)C4CCCCC4)N

DOS

IR

Vibrations