Geometry & MOs

Info

ID:	423539
PubChem CID:	135119695
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	8.69
Dipole, Da:	2.66
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(6-aminopyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations