Geometry & MOs

Info

ID:	331385
PubChem CID:	127248792
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	4.81
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CC3CCCC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations