Geometry & MOs

Info

ID:	218478
PubChem CID:	85089515
Reduced:	SN4O6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	476.253589
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	1.7
IP(EA), eV:	-8.47(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methoxyphenyl)pyrazolidin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1SCC2=C(C(=O)C3=C(C2=O)N4CC5C(C4(C3COC(=O)N)OC)N5)N

DOS

IR

Vibrations