Geometry & MOs

Info

ID:	417643
PubChem CID:	135102375
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	380.193629
ΔH_f, kcal/mol:	2.44
Dipole, Da:	5.39
IP(EA), eV:	-8.6(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-5-propylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)NC2(CC2)C3=CC=CC=C3

DOS

IR

Vibrations