Geometry & MOs

Info

ID:	23229
PubChem CID:	602891
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	5.08
IP(EA), eV:	-8.83(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(9-cyano-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-12-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC12CCCN3C1C4(CC3)C5=CC=CC=C5NC4(CC2)C#N

DOS

IR

Vibrations