Geometry & MOs

Info

ID:	211460
PubChem CID:	80953295
Reduced:	ClN3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	39.11
Dipole, Da:	4.88
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)NC(C2CC2)C3CC3

DOS

IR

Vibrations