Geometry & MOs

Info

ID:	378778
PubChem CID:	134224876
Reduced:	SN2H22C34 (1)
Stoich.:	AB2C22D34 (1)
Weight, g/mol:	392.108026
ΔH_f, kcal/mol:	151.73
Dipole, Da:	1.52
IP(EA), eV:	-7.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)SC5=CC6=C(C=C54)C7=C(N6)C=CC8=CC=CC=C87

DOS

IR

Vibrations