Geometry & MOs

Info

ID:	441974
PubChem CID:	135247276
Reduced:	N3H31C42 (1)
Stoich.:	A3B31C42 (1)
Weight, g/mol:	437.189198
ΔH_f, kcal/mol:	264.67
Dipole, Da:	4.44
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC=CC=C(C(=CC=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64)C(=NC(=N)C7=CC=CC=C7)N

DOS

IR

Vibrations