Geometry & MOs

Info

ID:	159122
PubChem CID:	57260460
Reduced:	O3N6C21H32 (1)
Stoich.:	A3B6C21D32 (1)
Weight, g/mol:	571.274081
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	7.5
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(N=C(N=C1N2CCCCC2CC(=O)NCC(OC)OC)N3C=CN=C3)C

DOS

IR

Vibrations