Geometry & MOs

Info

ID:	211361
PubChem CID:	80938360
Reduced:	ClN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	296.124881
ΔH_f, kcal/mol:	32.7
Dipole, Da:	4.77
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)N(C)C2CC2

DOS

IR

Vibrations