Geometry & MOs

Info

ID:	426866
PubChem CID:	135154269
Reduced:	BrO2N6H23C24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	30.35
Dipole, Da:	5.67
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(methoxymethyl)-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=CC(=C2)C#N)C3=C(C=C(C(=N3)N)C(=O)NCC4=CC=NC=C4)Br

DOS

IR

Vibrations