Geometry & MOs

Info

ID:	21320
PubChem CID:	587929
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	5.19
IP(EA), eV:	-8.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-(1-hydroxyethyl)-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CC(C12CCCN3C1C4(CC3)C5=C(C=C(C=C5)OC)NC4=C(C2)C(=O)OC)O

DOS

IR

Vibrations