Geometry & MOs

Info

ID:	84896
PubChem CID:	49870597
Reduced:	NC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	351.155847
ΔH_f, kcal/mol:	41.87
Dipole, Da:	3.46
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NC(=NC=C2)NC3CCCCC3

DOS

IR

Vibrations