Geometry & MOs

Info

ID:	302542
PubChem CID:	124384986
Reduced:	ON2C3H4 (3)
Stoich.:	AB2C3D4 (3)
Weight, g/mol:	274.146999
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	5.31
IP(EA), eV:	-9.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaene

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)N=[N+]=[N-]

DOS

IR

Vibrations