Geometry & MOs

Info

ID:	336559
PubChem CID:	127255566
Reduced:	O2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	288.038958
ΔH_f, kcal/mol:	59.21
Dipole, Da:	5.6
IP(EA), eV:	-8.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)N(C4=C(C=C(C(=C4)N)N(C)CCN(C)C)OC)C(=O)C=C

DOS

IR

Vibrations