Geometry & MOs

Info

ID:	216375
PubChem CID:	85086123
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	260.131349
ΔH_f, kcal/mol:	-213.18
Dipole, Da:	4.43
IP(EA), eV:	-9.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2,9-diazapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-5(18),6,8,10,12,14,16-heptaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C(CCCCN)C(=O)O

DOS

IR

Vibrations