Geometry & MOs

Info

ID:	211465
PubChem CID:	80953300
Reduced:	ClFON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	4.8
IP(EA), eV:	-9.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)NC2=C(C=C(C=C2)F)OC

DOS

IR

Vibrations