Geometry & MOs

Info

ID:	426203
PubChem CID:	135142652
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	399.109817
ΔH_f, kcal/mol:	7.74
Dipole, Da:	3.89
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl 15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CC2=NC3=CN=C4C(=C3N2C5CCC(CC5)CC#N)C=CN4

DOS

IR

Vibrations