Geometry & MOs

Info

ID:	332015
PubChem CID:	127250301
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	412.164774
ΔH_f, kcal/mol:	32.32
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-quinolin-5-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CNC3=CC=CC=C32)C4=NC=C(C=C4)C5=CN=CN=C5

DOS

IR

Vibrations