Geometry & MOs

Info

ID:	396991
PubChem CID:	135029556
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	7.01
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(cyclobutylidenemethyl)-9-hydroxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

C[C@H](/C=C/C1(CCN2C=NC3=C2C(=NC=N3)N1O)C)C(=O)OC

DOS

IR

Vibrations