Geometry & MOs

Info

ID:	230339
PubChem CID:	87570680
Reduced:	O8N11C58H79 (1)
Stoich.:	A8B11C58D79 (1)
Weight, g/mol:	241.9777
ΔH_f, kcal/mol:	-244.07
Dipole, Da:	4.79
IP(EA), eV:	-8.59(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCOC1(CN(C1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)NCCC3=CN=CN3)C4=CC=CC=C4.CNC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)NCCC3=CN=CN3)C4CCCCC4

DOS

IR

Vibrations