Geometry & MOs

Info

ID:	421540
PubChem CID:	135116182
Reduced:	O4N5C21H31 (1)
Stoich.:	A4B5C21D31 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-165.54
Dipole, Da:	8.35
IP(EA), eV:	-9.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-3-(furan-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CC=CC=N2)C(C)C

DOS

IR

Vibrations