Geometry & MOs

Info

ID:	135582
PubChem CID:	51897107
Reduced:	ClON5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	68.77
Dipole, Da:	7.38
IP(EA), eV:	-9.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(1S)-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)Cl)N2C=CC3=C(C2=O)C=NC4=NC=NN34

DOS

IR

Vibrations