Geometry & MOs

Info

ID:	170134
PubChem CID:	75202625
Reduced:	SN5O6C24H31 (1)
Stoich.:	AB5C6D24E31 (1)
Weight, g/mol:	506.264154
ΔH_f, kcal/mol:	-139.08
Dipole, Da:	3.95
IP(EA), eV:	-8.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-1-[(2S)-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=C(C=C1)C2=CC3=NC=CN=C3C(=N2)OC[C@@H]4CN(CCO4)S(=O)(=O)C)OC

DOS

IR

Vibrations