Geometry & MOs

Info

ID:	299818
PubChem CID:	117695755
Reduced:	F2O3N4C23H26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	366.13036
ΔH_f, kcal/mol:	-146.1
Dipole, Da:	5.54
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-6-methyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)NC(=O)C2CC2)C(=O)NC(C)C3=CC(=C(N=C3)OCC(F)F)C4CC4

DOS

IR

Vibrations