Geometry & MOs

Info

ID:	305611
PubChem CID:	124962159
Reduced:	SN5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	100.47
Dipole, Da:	5.2
IP(EA), eV:	-9.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminopyrimidin-5-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=NC3=NC=CN3C=C2)CC4=NC=CS4

DOS

IR

Vibrations