Geometry & MOs

Info

ID:	444496
PubChem CID:	135262629
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	349.02872
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	5.53
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-iodo-2-methylpyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1CC(CCN1)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)OC)N5CCO[C@H](C5)CO

DOS

IR

Vibrations