Geometry & MOs

Info

ID:	420696
PubChem CID:	135114676
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	10.95
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C(=O)N1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations