Geometry & MOs

Info

ID:	135583
PubChem CID:	51897108
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	36.9
Dipole, Da:	7.81
IP(EA), eV:	-9.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(1R)-1-(4-methoxyphenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OC)N2C=CC3=C(C2=O)C=NC4=NC=NN34

DOS

IR

Vibrations