Geometry & MOs

Info

ID:	333539
PubChem CID:	127252091
Reduced:	N5C17H23 (1)
Stoich.:	A5B17C23 (1)
Weight, g/mol:	351.16708
ΔH_f, kcal/mol:	52.53
Dipole, Da:	3.57
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-propan-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC2=NC=CC(=N2)C3CCN(C3)C(C)C

DOS

IR

Vibrations