Geometry & MOs

Info

ID:	211443
PubChem CID:	80951076
Reduced:	ClN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	301.05936
ΔH_f, kcal/mol:	10.63
Dipole, Da:	4.77
IP(EA), eV:	-9.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC1=CC(=NC(=N1)C2CC2)Cl

DOS

IR

Vibrations