Geometry & MOs

Info

ID:	25705
PubChem CID:	629444
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	350.235814
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-cyclohexyl-4-(oxetan-2-yl)-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

Drug info:

PubChemData

Smile

CC=C1CN2C3CC1C4(C2C(C35C6=CC=CC=C6N(C5=O)C)OC4)C(=O)OC

DOS

IR

Vibrations