Geometry & MOs

Info

ID:	310010
PubChem CID:	126572759
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	405.221641
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	5.3
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C(C3=C(C=CC(=N3)C)C=C2)C

DOS

IR

Vibrations