Geometry & MOs

Info

ID:	168207
PubChem CID:	74937195
Reduced:	NOF3C26H30 (1)
Stoich.:	ABC3D26E30 (1)
Weight, g/mol:	331.23
ΔH_f, kcal/mol:	-168.81
Dipole, Da:	3.06
IP(EA), eV:	-8.45(-1.23)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations