Geometry & MOs

Info

ID:	303721
PubChem CID:	124490098
Reduced:	N3O6C12H13 (1)
Stoich.:	A3B6C12D13 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	-180.52
Dipole, Da:	3.21
IP(EA), eV:	-10.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,16R,21R)-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8-tetraene

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)N/N=C\[C@@H]([C@H]2[C@@H]([C@@H](C(=O)O2)O)O)O

DOS

IR

Vibrations