Geometry & MOs

Info

ID:	23240
PubChem CID:	602908
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-122.78
Dipole, Da:	2.41
IP(EA), eV:	-8.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-(2-ethoxy-2-oxoethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC12CCCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC

DOS

IR

Vibrations