Geometry & MOs

Info

ID:	172443
PubChem CID:	75511685
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	375.10586
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	2.82
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)CCC2C(=O)NC(=O)N2

DOS

IR

Vibrations