Geometry & MOs

Info

ID:	314468
PubChem CID:	126621876
Reduced:	ClN3H10C17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	466.123676
ΔH_f, kcal/mol:	106.96
Dipole, Da:	5.18
IP(EA), eV:	-9.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=C(N=C3C4=CN=CC=C4)Cl

DOS

IR

Vibrations