Geometry & MOs

Info

ID:	332963
PubChem CID:	127251387
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	438.274324
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	3.67
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCCN3CCCCCC3)C4=CN=CN=C4

DOS

IR

Vibrations