Geometry & MOs

Info

ID:	307201
PubChem CID:	125275806
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	6.81
IP(EA), eV:	-8.97(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,9R)-11-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridec-4-en-6-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)C(=O)N3C[C@H]4C[C@@H](C3)[C@H]5CC=CC(=O)N5C4

DOS

IR

Vibrations