Geometry & MOs

Info

ID:	397013
PubChem CID:	135029598
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	4.49
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-cyclopropyl-9-hydroxy-11-methylidene-1,3,5,7,9-pentazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CC(C1)(C(=O)NC2)C)C)C3=NC4=C(O3)C=C5C(=C4)C(=O)C6=CC=CC=C6O5

DOS

IR

Vibrations