Geometry & MOs

Info

ID:	314470
PubChem CID:	126621878
Reduced:	ClSN2H15C28 (1)
Stoich.:	ABC2D15E28 (1)
Weight, g/mol:	343.087625
ΔH_f, kcal/mol:	140.91
Dipole, Da:	3.56
IP(EA), eV:	-8.65(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(1,2-dihydropyridin-3-yl)phenanthro[9,10-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C(=NC(=N4)Cl)C5=CC6=C(C=C5)SC7=CC=CC=C76

DOS

IR

Vibrations