Geometry & MOs

Info

ID:	378650
PubChem CID:	134224744
Reduced:	F2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	335.1674
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	1.66
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,16-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),18,20-decaene

Drug info:

PubChemData

Smile

CC(C)C1=C2C=C(C(=CC2=NN1)CC(C)C3=NN(C4=C3C=C(C=C4)F)C)F

DOS

IR

Vibrations