Geometry & MOs

Info

ID:	417397
PubChem CID:	135093188
Reduced:	O7N8C40H48 (1)
Stoich.:	A7B8C40D48 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	6.59
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-amino-6-methylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4N5C=NC=N5

DOS

IR

Vibrations