Geometry & MOs

Info

ID:	189579
PubChem CID:	77875905
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	285.220498
ΔH_f, kcal/mol:	-73.42
Dipole, Da:	8.45
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-1-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene

Drug info:

PubChemData

Smile

CCCCCNC(=O)NC1=CC=C(C=C1)C2CC(=O)NNC2

DOS

IR

Vibrations