Geometry & MOs

Info

ID:	13880
PubChem CID:	399556
Reduced:	N4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	352.168797
ΔH_f, kcal/mol:	122.25
Dipole, Da:	4.82
IP(EA), eV:	-7.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-ylidene)amino]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC=CC=C31)C(=NNC4=CC=CC=N4)C5=CC=CC=C5CC2

DOS

IR

Vibrations