Geometry & MOs

Info

ID:	310008
PubChem CID:	126572710
Reduced:	N3O3C32H47 (1)
Stoich.:	A3B3C32D47 (1)
Weight, g/mol:	405.221641
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	1.82
IP(EA), eV:	-8.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(3-fluoro-4-methylphenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)OC(C)C)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CNCC4)C=C3

DOS

IR

Vibrations