Geometry & MOs

Info

ID:	88851
PubChem CID:	49957306
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	298.146999
ΔH_f, kcal/mol:	55.11
Dipole, Da:	3.57
IP(EA), eV:	-8.53(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-pyridin-3-yl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12-hexaene

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)C3C=CCC3C(N2)C4=CN=CC=C4

DOS

IR

Vibrations