Geometry & MOs

Info

ID:	445175
PubChem CID:	135264779
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	298.146999
ΔH_f, kcal/mol:	104.5
Dipole, Da:	3.77
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E)-penta-1,3-dien-3-yl]-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CC(=CC=C2)C(=NC=C(C)C)N=C

DOS

IR

Vibrations