Geometry & MOs

Info

ID:	331376
PubChem CID:	127248783
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	387.207053
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	7.43
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CCOC)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations