Geometry & MOs

Info

ID:	422378
PubChem CID:	135117715
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-8.04
Dipole, Da:	1.84
IP(EA), eV:	-8.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)N[C@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations