Geometry & MOs

Info

ID:	306087
PubChem CID:	125001621
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	0.78
Dipole, Da:	6.29
IP(EA), eV:	-8.36(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N)[C@H]2CCCN2C(=O)C3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations