Geometry & MOs

Info

ID:	305729
PubChem CID:	124967066
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	367.157915
ΔH_f, kcal/mol:	22.78
Dipole, Da:	3.17
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[3-[(2S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=NC(=CC=C2)[C@H]3CCCNC3

DOS

IR

Vibrations