Geometry & MOs

Info

ID:	15508
PubChem CID:	442967
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-39.19
Dipole, Da:	6.61
IP(EA), eV:	-8.57(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O

DOS

IR

Vibrations