Geometry & MOs

Info

ID:	21927
PubChem CID:	593916
Reduced:	NC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	296.225249
ΔH_f, kcal/mol:	8.21
Dipole, Da:	2.75
IP(EA), eV:	-8.4(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,17-dimethyl-14-propyl-2,12-diazapentacyclo[12.2.1.01,9.03,8.09,13]heptadeca-3,5,7-triene

Drug info:

PubChemData

Smile

CCCC12CC(C3(C1C)C4(C2NCC4)C5=CC=CC=C5N3)C

DOS

IR

Vibrations