Geometry & MOs

Info

ID:	127108
PubChem CID:	50990999
Reduced:	ON5H25C28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	577.268905
ΔH_f, kcal/mol:	105.3
Dipole, Da:	4.36
IP(EA), eV:	-8.31(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[6-(4-methoxyphenyl)-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]indol-3-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN3C4=NC=NC(=C4)NC5CC5)C6=CC(=CC=C6)N

DOS

IR

Vibrations