Geometry & MOs

Info

ID:	179878
PubChem CID:	76549076
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	250.037967
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	6.06
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)NC3=NC(=NC=C3C(=O)N)NC4CCCCC4N

DOS

IR

Vibrations