Geometry & MOs

Info

ID:	127833
PubChem CID:	51018841
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	448.283826
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	4.15
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-11-[5-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@@H]([C@H]2O)N/C=C\3/C=CC=CC3=O

DOS

IR

Vibrations