Geometry & MOs

Info

ID:	210106
PubChem CID:	80763364
Reduced:	N4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	302.054608
ΔH_f, kcal/mol:	41.42
Dipole, Da:	2.01
IP(EA), eV:	-8.37(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC(=NC=C2C)N

DOS

IR

Vibrations