Geometry & MOs

Info

ID:	23241
PubChem CID:	602909
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	5.19
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-acetyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl)ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)N1C2CCC3(CCCN4C3C2(CC4)C5=C1C(=CC=C5)OC)CCOC(=O)C

DOS

IR

Vibrations