Geometry & MOs

Info

ID:	420242
PubChem CID:	135112022
Reduced:	FO4N7C36H44 (1)
Stoich.:	AB4C7D36E44 (1)
Weight, g/mol:	240.114174
ΔH_f, kcal/mol:	-189.27
Dipole, Da:	7.05
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(3-ethylpiperazin-1-yl)-2-methylpyrimidine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)CCC5=NC6=C(N5)C=C(C=C6)F)C(C)C

DOS

IR

Vibrations