Geometry & MOs

Info

ID:	168206
PubChem CID:	74937194
Reduced:	ClNC23H26 (1)
Stoich.:	ABC23D26 (1)
Weight, g/mol:	429.227949
ΔH_f, kcal/mol:	10.84
Dipole, Da:	2.54
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methyl-4-(4-methylphenyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;2,2,2-trifluoroacetaldehyde

Drug info:

PubChemData

Smile

CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations