Geometry & MOs

Info

ID:	198242
PubChem CID:	79073268
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	275.118925
ΔH_f, kcal/mol:	13.23
Dipole, Da:	3.91
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NCCOC2=CC=CC=C2)Cl

DOS

IR

Vibrations