Geometry & MOs

Info

ID:	412161
PubChem CID:	135085035
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	417.122891
ΔH_f, kcal/mol:	-32.18
Dipole, Da:	4.1
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=O)[C@@H]5CCCN5

DOS

IR

Vibrations