Geometry & MOs

Info

ID:	421900
PubChem CID:	135116807
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-200.12
Dipole, Da:	6.95
IP(EA), eV:	-9.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC(=CC(=C3)O)C(=O)OC

DOS

IR

Vibrations