Geometry & MOs

Info

ID:	275756
PubChem CID:	103817432
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	298.104146
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	2.14
IP(EA), eV:	-8.8(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=CC(=NC(=N2)N)OC

DOS

IR

Vibrations