Geometry & MOs

Info

ID:	79999
PubChem CID:	49832093
Reduced:	FO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	370.181191
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	4.27
IP(EA), eV:	-9.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)COC3=C(C=C(C=C3)C#N)F)C#N

DOS

IR

Vibrations