Geometry & MOs

Info

ID:	80987
PubChem CID:	49854221
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	396.140925
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	3.41
IP(EA), eV:	-8.28(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C34CC3CNC4

DOS

IR

Vibrations