Geometry & MOs

Info

ID:	429310
PubChem CID:	135169279
Reduced:	IOSN4H15C21 (1)
Stoich.:	ABCD4E15F21 (1)
Weight, g/mol:	408.195011
ΔH_f, kcal/mol:	114.59
Dipole, Da:	5.69
IP(EA), eV:	-8.58(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-ethenyl-6-azatricyclo[4.2.0.01,3]octan-5-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-yl]methanol

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(C=C2C3=CC4=CC(=CN=C4C=C3)NCC5=COC=C5)SI

DOS

IR

Vibrations