Geometry & MOs

Info

ID:	168208
PubChem CID:	74937196
Reduced:	NC24H29 (1)
Stoich.:	AB24C29 (1)
Weight, g/mol:	416.207548
ΔH_f, kcal/mol:	15.38
Dipole, Da:	0.86
IP(EA), eV:	-8.49(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC1=CC=C(C=C1)C2=CC3=C(CC4C5C3(CCCC5)CCN4C)C=C2

DOS

IR

Vibrations