Geometry & MOs

Info

ID:	306111
PubChem CID:	125001661
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	351.16708
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	4.89
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2(CCOCC2)C3=CC=CC=C3)C4=NC(=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations