Geometry & MOs

Info

ID:	47414
PubChem CID:	10532467
Reduced:	PN5O8C32H56 (1)
Stoich.:	AB5C8D32E56 (1)
Weight, g/mol:	543.357326
ΔH_f, kcal/mol:	-406.29
Dipole, Da:	3.01
IP(EA), eV:	-9.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azocan-1-yl)-N-[6-[3-(azocan-1-yl)propanoylamino]acridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC(=O)P(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]

DOS

IR

Vibrations