Geometry & MOs

Info

ID:	332973
PubChem CID:	127251397
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	3.73
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3CC(NC(C3)(C)C)(C)C)C4=CN=CN=C4

DOS

IR

Vibrations