Geometry & MOs

Info

ID:	306086
PubChem CID:	125001618
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	43.43
Dipole, Da:	3.2
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CC2=CSC=C2)C3=NC4=C(C=C3)C=NN4

DOS

IR

Vibrations