Geometry & MOs

Info

ID:	379497
PubChem CID:	134436670
Reduced:	O2N7C25H31 (1)
Stoich.:	A2B7C25D31 (1)
Weight, g/mol:	436.05751
ΔH_f, kcal/mol:	35.48
Dipole, Da:	4.58
IP(EA), eV:	-8.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NC=C(C=C2)C3=CC(=CN4C3=C(C=N4)C#N)OCC5CNCCO5)NC

DOS

IR

Vibrations