Geometry & MOs

Info

ID:	331410
PubChem CID:	127248817
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	4.59
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations