Geometry & MOs

Info

ID:	80945
PubChem CID:	49854018
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	364.134697
ΔH_f, kcal/mol:	21.41
Dipole, Da:	6.96
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=CC=C(C=C2)C34CC3CN(C4)C(=O)C5=CN=CC=C5)CN6C=CN=N6

DOS

IR

Vibrations