Geometry & MOs

Info

ID:	31095
PubChem CID:	854477
Reduced:	ClN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	10.31
IP(EA), eV:	-7.9(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,19R)-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

CN1CCN(CC1)CC2=C3C(=C4CCCC4=C(O3)O)C=C(C2=O)Cl

DOS

IR

Vibrations