Geometry & MOs

Info

ID:	312208
PubChem CID:	126603588
Reduced:	O2F3N3H18C21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	206.178299
ΔH_f, kcal/mol:	-144.76
Dipole, Da:	2.8
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(2-methylbutan-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations