Geometry & MOs

Info

ID:	230640
PubChem CID:	87571549
Reduced:	O5N12C43H74 (1)
Stoich.:	A5B12C43D74 (1)
Weight, g/mol:	311.246453
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	9.55
IP(EA), eV:	-8.3(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=C2C3=C(C(=C1)C(=O)NC2=O)C(=C(C(=C3C(=O)NNCCCN(CC)CC)C(=O)O)NCCCN(CC)CC)/C(=N/NCCCN(CC)CC)/N

DOS

IR

Vibrations