Geometry & MOs

Info

ID:	210648
PubChem CID:	80833925
Reduced:	N4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	302.054608
ΔH_f, kcal/mol:	48.29
Dipole, Da:	2.83
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N(C1)C3=NC(=NC=C3C)N

DOS

IR

Vibrations