Geometry & MOs

Info

ID:	174499
PubChem CID:	75773713
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	290.153147
ΔH_f, kcal/mol:	50.39
Dipole, Da:	2.02
IP(EA), eV:	-8.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC3=CC=CC=C3N(C2=O)CC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations