Geometry & MOs

Info

ID:	80000
PubChem CID:	49832151
Reduced:	ClON2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-37.47
Dipole, Da:	5.44
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(4-methoxyphenyl)methylidene]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Drug info:

PubChemData

Smile

C1CC2CN3C(CC/C(=C\C4=CC=C(C=C4)Cl)/C3=O)C5C2N(C1)CCC5

DOS

IR

Vibrations