Geometry & MOs

Info

ID:	449443
PubChem CID:	135298644
Reduced:	NO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	347.188529
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	0.32
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(16-tert-butyl-2-methyl-4-oxo-11-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),7(12),8,10,14,16-hexaen-6-yl)acetaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(C=CC=N3)C4(C2(CC(=O)C4)C)CC=O

DOS

IR

Vibrations