Geometry & MOs

Info

ID:	333877
PubChem CID:	127252429
Reduced:	N6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	323.13578
ΔH_f, kcal/mol:	62.82
Dipole, Da:	3.84
IP(EA), eV:	-8.58(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methyl-1-pyrimidin-2-ylpyrrolidin-2-yl)-6-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2(CCCN2C3=NC=CC=N3)C)NC

DOS

IR

Vibrations