Geometry & MOs

Info

ID:	7094
PubChem CID:	71203
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	3.47
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one

Drug info:

PubChemData

Smile

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2

DOS

IR

Vibrations